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

Systemtic Name: 1-methyl-9-(2-methylpropyl)-7-phenylmethoxy-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-benzyl-7-benzyloxy-9-isobutyl-1-methyl-pyrido[3,4-b]indol-2-ium bromide CAS Name: 1-methyl-9-(2-methylpropyl)-7-phenylmethoxy-2-(phenylmethyl)pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 2-benzyl-1-methyl-9-(2-methylpropyl)-7-phenylmethoxypyrido[3,4-b]indol-2-ium bromide Traditional Name: 7-benzoxy-2-benzyl-9-isobutyl-1-methyl-$b-carbolin-2-ium bromide Formula: C30H31BrN2O MolecularWeight: 515.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(C)C)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(C)C)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H31N2O.BrH/c1-22(2)19-32-29-18-26(33-21-25-12-8-5-9-13-25)14-15-27(29)28-16-17-31(23(3)30(28)32)20-24-10-6-4-7-11-24;/h4-18,22H,19-21H2,1-3H3;1H/q+1;/p-1