6-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C16H17N4O4S+ MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-19-7-6-11-12(8-19)25-16(13(11)14(17)21)18-15(22)9-2-4-10(5-3-9)20(23)24/h2-5H,6-8H2,1H3,(H2,17,21)(H,18,22)/p+1