(E)-3-[6-chloranyl-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-3-[6-chloranyl-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide Openeye Name: (E)-3-(1-acetonyl-6-chloro-pyridin-1-ium-3-yl)-N-methyl-3-phenyl-prop-2-enamide CAS Name: (E)-3-[6-chloro-1-(2-oxopropyl)-3-pyridin-1-iumyl]-N-methyl-3-phenyl-2-propenamide IUPAC Name: (E)-3-[6-chloro-1-(2-oxopropyl)pyridin-1-ium-3-yl]-N-methyl-3-phenylprop-2-enamide Traditional Name: (E)-3-(1-acetonyl-6-chloro-pyridin-1-ium-3-yl)-N-methyl-3-phenyl-acrylamide Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C[N+]1=C(C=CC(=C1)/C(=C/C(=O)NC)/C2=CC=CC=C2)Cl

InChI

InChI=1S/C18H17ClN2O2/c1-13(22)11-21-12-15(8-9-17(21)19)16(10-18(23)20-2)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3/p+1/b16-10+