6-methyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-methyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O3S/c1-19-8-7-12-13(10-19)23-16(15(12)17(21)22)18-14(20)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,20)(H,21,22)