N-(4-chlorophenyl)-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-(4-chlorophenyl)-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(allylamino)-2-oxo-ethyl]-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide chloride CAS Name: N-(4-chlorophenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-(4-chlorophenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(allylamino)-2-keto-ethyl]-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide chloride Formula: C17H17Cl2N3O2 MolecularWeight: 366.24178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2.ClH/c1-2-9-19-16(22)12-21-10-3-4-13(11-21)17(23)20-15-7-5-14(18)6-8-15;/h2-8,10-11H,1,9,12H2,(H-,19,20,22,23);1H