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

Systemtic Name: (E)-3-[6-chloranyl-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide iodide Openeye Name: (E)-3-(1-acetonyl-6-chloro-pyridin-1-ium-3-yl)-N-methyl-3-phenyl-prop-2-enamide iodide CAS Name: (E)-3-[6-chloro-1-(2-oxopropyl)-3-pyridin-1-iumyl]-N-methyl-3-phenyl-2-propenamide iodide IUPAC Name: (E)-3-[6-chloro-1-(2-oxopropyl)pyridin-1-ium-3-yl]-N-methyl-3-phenylprop-2-enamide iodide Traditional Name: (E)-3-(1-acetonyl-6-chloro-pyridin-1-ium-3-yl)-N-methyl-3-phenyl-acrylamide iodide Formula: C18H18ClIN2O2 MolecularWeight: 456.70519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O2.HI/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;1H/b16-10+;