(1R,3R)-1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: (1R,3R)-1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3R)-1-(m-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3R)-1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-(m-tolyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CC([NH2+]2)C(=O)[O-])C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC(=C1)[C@@H]2C3=C(C[C@@H]([NH2+]2)C(=O)[O-])C4=CC=CC=C4N3

InChI

InChI=1S/C19H18N2O2/c1-11-5-4-6-12(9-11)17-18-14(10-16(21-17)19(22)23)13-7-2-3-8-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)/t16-,17-/m1/s1