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

Systemtic Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium ethanoate Openeye Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate CAS Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate IUPAC Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate Traditional Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium acetate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC=C(C=C1)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3

Isomeric SMILES

CC(=O)[O-].COC1=CC=C(C=C1)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3

InChI

InChI=1S/C18H18N2O.C2H4O2/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18;1-2(3)4/h2-9,17,19-20H,10-11H2,1H3;1H3,(H,3,4)