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

Systemtic Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol ethanoate Openeye Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate CAS Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate IUPAC Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenol acetate Traditional Name: 3-(2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl)phenol acetate Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O

Isomeric SMILES

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O

InChI

InChI=1S/C17H16N2O.C2H4O2/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17;1-2(3)4/h1-7,10,16,18-20H,8-9H2;1H3,(H,3,4)