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

Systemtic Name: 7-butoxy-1-methyl-9-(2-methylpropyl)-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium Openeye Name: 2-benzyl-7-butoxy-9-isobutyl-1-methyl-pyrido[3,4-b]indol-2-ium CAS Name: 7-butoxy-1-methyl-9-(2-methylpropyl)-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium IUPAC Name: 2-benzyl-7-butoxy-1-methyl-9-(2-methylpropyl)pyrido[3,4-b]indol-2-ium Traditional Name: 2-benzyl-7-butoxy-9-isobutyl-1-methyl-$b-carbolin-2-ium Formula: C27H33N2O+ MolecularWeight: 401.56372

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N2O/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/q+1