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

Systemtic Name: N-(4-chlorophenyl)-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(allylamino)-2-oxo-ethyl]-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide CAS Name: N-(4-chlorophenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(allylamino)-2-keto-ethyl]-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide Formula: C17H17ClN3O2+ MolecularWeight: 330.78878

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2/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)/p+1