1,9-dimethyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,4-b]indol-2-ium

Systemtic Name: 1,9-dimethyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,4-b]indol-2-ium Openeye Name: 1,9-dimethyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,4-b]indol-2-ium CAS Name: 1,9-dimethyl-2-[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl]pyrido[3,4-b]indol-2-ium IUPAC Name: 1,9-dimethyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyrido[3,4-b]indol-2-ium Traditional Name: 1,9-dimethyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-$b-carbolin-2-ium Formula: C21H29N3+2 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)C)CCC[N+]4(CCCC4)C

Isomeric SMILES

CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)C)CCC[N+]4(CCCC4)C

InChI

InChI=1S/C21H29N3/c1-17-21-19(18-9-4-5-10-20(18)22(21)2)11-13-23(17)12-8-16-24(3)14-6-7-15-24/h4-5,9-11,13H,6-8,12,14-16H2,1-3H3/q+2