2-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 2-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 2-[(3-benzyloxy-4-methoxy-phenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-(3-benzoxy-4-methoxy-benzyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c1-29-25-12-11-20(15-26(25)30-18-19-7-3-2-4-8-19)16-28-14-13-22-21-9-5-6-10-23(21)27-24(22)17-28/h2-12,15,27H,13-14,16-18H2,1H3/p+1