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

Systemtic Name: 6-methyl-2-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

InChI

InChI=1S/C17H19N3O2S/c1-10-3-5-11(6-4-10)16(22)19-17-14(15(18)21)12-7-8-20(2)9-13(12)23-17/h3-6H,7-9H2,1-2H3,(H2,18,21)(H,19,22)/p+1