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

Systemtic Name: 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[(1-oxo-3-phenoxypropyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-2-21-10-8-14-15(12-21)26-18(17(14)19(23)24)20-16(22)9-11-25-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,20,22)(H,23,24)