1-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]pyridin-1-ium-3-carboxamide Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H17N3O2/c1-11-5-7-14(8-6-11)18-16(21)12(2)19-9-3-4-13(10-19)15(17)20/h3-10,12H,1-2H3,(H2-,17,18,20,21)/p+1/t12-/m0/s1