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

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(4-methylbenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-isopropyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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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)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-11(2)22-9-8-14-15(10-22)25-19(16(14)17(20)23)21-18(24)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H2,20,23)(H,21,24)/p+1