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

Systemtic Name: 6-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-18-7-6-11-12(8-18)25-15(13(11)16(21)22)17-14(20)9-2-4-10(5-3-9)19(23)24/h2-5H,6-8H2,1H3,(H,17,20)(H,21,22)