QOJ

4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)

Created:2019-12-03
Last modified:  2024-05-08

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Chemical Details

Formal Charge2
Atom Count82
Chiral Atom Count0
Bond Count87
Aromatic Bond Count22
2D diagram of QOJ

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Chemical Component Summary

Name4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium)
Systematic Name (OpenEye OEToolkits)4-[10-(9-azanyl-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-4-ium-4-yl)decyl]-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-4-ium-9-amine
FormulaC34 H44 N4
Molecular Weight508.74
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c3ccccc3c(N)c3CCCc23)c2CCCc12
SMILESCACTVS3.385Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N)c5ccccc35)c6ccccc16
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c3c([n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N)CCC3)N
Canonical SMILESCACTVS3.385 Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N)c5ccccc35)c6ccccc16
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)c(c3c([n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N)CCC3)N
InChIInChI1.06 InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2
InChIKeyInChI1.06 MEFIQYBUDHNVHT-UHFFFAOYSA-P

Related Resource References

Resource NameReference
PubChem 135392023