1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-pyrido[3,4-b]indol-2-ium dibromide

Systemtic Name: 1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-pyrido[3,4-b]indol-2-ium dibromide Openeye Name: 1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-pyrido[3,4-b]indol-2-ium dibromide CAS Name: 1-methyl-2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-4bH-pyrido[3,4-b]indol-2-ium dibromide IUPAC Name: 1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-pyrido[3,4-b]indol-2-ium dibromide Traditional Name: 1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-$b-carbolin-2-ium dibromide Formula: C21H29Br2N3 MolecularWeight: 483.28306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1N=C3C2C=CC=C3)CCC[N+]4(CCCCC4)C.[Br-].[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=C1N=C3C2C=CC=C3)CCC[N+]4(CCCCC4)C.[Br-].[Br-]

InChI

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