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

Systemtic Name: 1-[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C17H18N4O3/c1-11(21-9-3-4-13(10-21)16(18)23)17(24)20-15-7-5-14(6-8-15)19-12(2)22/h3-11H,1-2H3,(H3-,18,19,20,22,23,24)/p+1/t11-/m1/s1