(phenylmethyl) 4-oxidanylidene-5-(phenylmethyl)-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-5-(phenylmethyl)-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylate Openeye Name: benzyl 5-benzyl-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylate CAS Name: 4-oxo-5-(phenylmethyl)-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-benzyl-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylate Traditional Name: 5-benzyl-4-keto-6,7-dihydrothieno[3,2-c]pyridin-5-ium-5-carboxylic acid benzyl ester Formula: C22H20NO3S+ MolecularWeight: 378.4641

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)C2=C1SC=C2)(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[N+](C(=O)C2=C1SC=C2)(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20NO3S/c24-21-19-12-14-27-20(19)11-13-23(21,15-17-7-3-1-4-8-17)22(25)26-16-18-9-5-2-6-10-18/h1-10,12,14H,11,13,15-16H2/q+1