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

Systemtic Name: 2-[(4-ethanoylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(4-acetylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(4-acetylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[(4-acetylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

InChI

InChI=1S/C18H19N3O3S/c1-10(22)11-3-5-12(6-4-11)17(24)20-18-15(16(19)23)13-7-8-21(2)9-14(13)25-18/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24)/p+1