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

Systemtic Name: 3-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol ethanoate Openeye Name: 3-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate CAS Name: 3-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate IUPAC Name: 3-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate Traditional Name: 3-(6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl)phenol acetate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=CC(=CC=C4)O

Isomeric SMILES

CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=CC(=CC=C4)O

InChI

InChI=1S/C18H18N2O2.C2H4O2/c1-22-13-5-6-16-15(10-13)14-7-8-19-17(18(14)20-16)11-3-2-4-12(21)9-11;1-2(3)4/h2-6,9-10,17,19-21H,7-8H2,1H3;1H3,(H,3,4)