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164256220 molecular structure
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(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide

ChemBase ID: 200310
Molecular Formular: C16H28IN
Molecular Mass: 361.30469
Monoisotopic Mass: 361.1266479
SMILES and InChIs

SMILES:
[N+]12([C@@](C3=C(CC2)CCC3)(CCC(C1)CC)C)C.[I-]
Canonical SMILES:
CCC1CC[C@]2([N+](C1)(C)CCC1=C2CCC1)C.[I-]
InChI:
InChI=1S/C16H28N.HI/c1-4-13-8-10-16(2)15-7-5-6-14(15)9-11-17(16,3)12-13;/h13H,4-12H2,1-3H3;1H/q+1;/p-1/t13?,16-,17?;/m1./s1
InChIKey:
RWWFMEUTPZYLKA-GTHMNASVSA-M

Cite this record

CBID:200310 http://www.chembase.cn/molecule-200310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
IUPAC Traditional name
(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-cyclopenta[a]quinolizin-5-ium iodide
PubChem SID
164256220
PubChem CID
52993879

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 52993879 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8599985  LogD (pH = 7.4) -0.8599985 
Log P -0.8599985  Molar Refractivity 85.8921 cm3
Polarizability 29.275398 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Salt Data
I- expand Show data source
Classification
Rare Derivatives of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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