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

Systemtic Name: 1-(4-bromophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium ethanoate Openeye Name: 6-benzyloxy-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate CAS Name: 1-(4-bromophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate IUPAC Name: 1-(4-bromophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate Traditional Name: 6-benzoxy-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium acetate Formula: C26H25BrN2O3 MolecularWeight: 493.3923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H21BrN2O.C2H4O2/c25-18-8-6-17(7-9-18)23-24-20(12-13-26-23)21-14-19(10-11-22(21)27-24)28-15-16-4-2-1-3-5-16;1-2(3)4/h1-11,14,23,26-27H,12-13,15H2;1H3,(H,3,4)