1-(3,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 6-benzyloxy-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 1-(3,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 6-benzoxy-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C26H26N2O3/c1-29-23-11-8-18(14-24(23)30-2)25-26-20(12-13-27-25)21-15-19(9-10-22(21)28-26)31-16-17-6-4-3-5-7-17/h3-11,14-15,25,27-28H,12-13,16H2,1-2H3/p+1