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

Systemtic Name: 1-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1S)-2-(N-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-3-20(15-9-5-4-6-10-15)17(22)13(2)19-11-7-8-14(12-19)16(18)21/h4-13H,3H2,1-2H3,(H-,18,21)/p+1/t13-/m0/s1