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

Systemtic Name: 3-(6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol ethanoate Openeye Name: 3-(6-benzyloxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate CAS Name: 3-(6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate IUPAC Name: 3-(6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate Traditional Name: 3-(6-benzoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl)phenol acetate Formula: C26H26N2O4 MolecularWeight: 430.49564

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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(=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2.C2H4O2/c27-18-8-4-7-17(13-18)23-24-20(11-12-25-23)21-14-19(9-10-22(21)26-24)28-15-16-5-2-1-3-6-16;1-2(3)4/h1-10,13-14,23,25-27H,11-12,15H2;1H3,(H,3,4)