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

Systemtic Name: methyl 2-acetamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-acetamido-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-acetamido-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)C[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H20N2O3S/c1-12(21)19-17-16(18(22)23-2)14-8-9-20(11-15(14)24-17)10-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,19,21)/p+1