1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(allylamino)-2-oxo-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-(prop-2-enylamino)ethyl]-N-phenyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(prop-2-enylamino)ethyl]-N-phenylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(allylamino)-2-keto-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide chloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C=CCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H17N3O2.ClH/c1-2-10-18-16(21)13-20-11-6-7-14(12-20)17(22)19-15-8-4-3-5-9-15;/h2-9,11-12H,1,10,13H2,(H-,18,19,21,22);1H