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

Systemtic Name: 1-methyl-7-octoxy-2-(phenylmethyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium Openeye Name: 2-benzyl-1-methyl-7-octoxy-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium CAS Name: 1-methyl-7-octoxy-2-(phenylmethyl)-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium IUPAC Name: 2-benzyl-1-methyl-7-octoxy-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium Traditional Name: 2-benzyl-1-methyl-7-octoxy-9-(3-phenylpropyl)-$b-carbolin-2-ium Formula: C36H43N2O+ MolecularWeight: 519.73942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C3=C(N2CCCC4=CC=CC=C4)C(=[N+](C=C3)CC5=CC=CC=C5)C

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C3=C(N2CCCC4=CC=CC=C4)C(=[N+](C=C3)CC5=CC=CC=C5)C

InChI

InChI=1S/C36H43N2O/c1-3-4-5-6-7-14-26-39-32-21-22-33-34-23-25-37(28-31-18-12-9-13-19-31)29(2)36(34)38(35(33)27-32)24-15-20-30-16-10-8-11-17-30/h8-13,16-19,21-23,25,27H,3-7,14-15,20,24,26,28H2,1-2H3/q+1