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

Systemtic Name: methyl (1R,3S)-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl (1R,3S)-1-(2-thienyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3S)-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3S)-1-(2-thienyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C([NH2+]1)C3=CC=CS3)NC4=CC=CC=C24

Isomeric SMILES

COC(=O)[C@@H]1CC2=C([C@@H]([NH2+]1)C3=CC=CS3)NC4=CC=CC=C24

InChI

InChI=1S/C17H16N2O2S/c1-21-17(20)13-9-11-10-5-2-3-6-12(10)18-15(11)16(19-13)14-7-4-8-22-14/h2-8,13,16,18-19H,9H2,1H3/p+1/t13-,16-/m0/s1