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

Systemtic Name: methyl (1R,3R)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1R,3R)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3R)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C3=C(CC([NH2+]2)C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H]2C3=C(C[C@@H]([NH2+]2)C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N2O4/c1-25-17-10-6-8-13(20(17)26-2)18-19-14(11-16(23-18)21(24)27-3)12-7-4-5-9-15(12)22-19/h4-10,16,18,22-23H,11H2,1-3H3/p+1/t16-,18-/m1/s1