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

Systemtic Name: methyl (1R,3R)-1-(2-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1R,3R)-1-(o-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-(2-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3R)-1-(2-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-(o-tolyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CC([NH2+]2)C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2/c1-12-7-3-4-8-13(12)18-19-15(11-17(22-18)20(23)24-2)14-9-5-6-10-16(14)21-19/h3-10,17-18,21-22H,11H2,1-2H3/p+1/t17-,18-/m1/s1