7-butoxy-1-methyl-9-(2-methylpropyl)-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 7-butoxy-1-methyl-9-(2-methylpropyl)-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-benzyl-7-butoxy-9-isobutyl-1-methyl-pyrido[3,4-b]indol-2-ium bromide CAS Name: 7-butoxy-1-methyl-9-(2-methylpropyl)-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 2-benzyl-7-butoxy-1-methyl-9-(2-methylpropyl)pyrido[3,4-b]indol-2-ium bromide Traditional Name: 2-benzyl-7-butoxy-9-isobutyl-1-methyl-$b-carbolin-2-ium bromide Formula: C27H33BrN2O MolecularWeight: 481.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C3=C(N2CC(C)C)C(=[N+](C=C3)CC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C3=C(N2CC(C)C)C(=[N+](C=C3)CC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C27H33N2O.BrH/c1-5-6-16-30-23-12-13-24-25-14-15-28(19-22-10-8-7-9-11-22)21(4)27(25)29(18-20(2)3)26(24)17-23;/h7-15,17,20H,5-6,16,18-19H2,1-4H3;1H/q+1;/p-1