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

Systemtic Name: 1-[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C17H19N3O2/c1-3-13-6-8-15(9-7-13)19-17(22)12(2)20-10-4-5-14(11-20)16(18)21/h4-12H,3H2,1-2H3,(H2-,18,19,21,22)/p+1/t12-/m1/s1