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

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(allylamino)-2-oxo-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride CAS Name: N-methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(allylamino)-2-keto-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride Formula: C12H16ClN3O2 MolecularWeight: 269.72734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C[N+](=CC=C1)CC(=O)NCC=C.[Cl-]

Isomeric SMILES

CNC(=O)C1=C[N+](=CC=C1)CC(=O)NCC=C.[Cl-]

InChI

InChI=1S/C12H15N3O2.ClH/c1-3-6-14-11(16)9-15-7-4-5-10(8-15)12(17)13-2;/h3-5,7-8H,1,6,9H2,2H3,(H-,13,14,16,17);1H