ethyl (E)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-1-yl-hex-3-enoate cyanide

Systemtic Name: ethyl (E)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-1-yl-hex-3-enoate cyanide Openeye Name: ethyl (E)-2-methyl-5-oxo-4-pyridin-1-ium-1-yl-hex-3-enoate cyanide CAS Name: (E)-2-methyl-5-oxo-4-(1-pyridin-1-iumyl)-3-hexenoic acid ethyl ester cyanide IUPAC Name: ethyl (E)-2-methyl-5-oxo-4-pyridin-1-ium-1-ylhex-3-enoate cyanide Traditional Name: (E)-5-keto-2-methyl-4-pyridin-1-ium-1-yl-hex-3-enoic acid ethyl ester cyanide Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C=C(C(=O)C)[N+]1=CC=CC=C1.[C-]#N

Isomeric SMILES

CCOC(=O)C(C)/C=C(\C(=O)C)/[N+]1=CC=CC=C1.[C-]#N

InChI

InChI=1S/C14H18NO3.CN/c1-4-18-14(17)11(2)10-13(12(3)16)15-8-6-5-7-9-15;1-2/h5-11H,4H2,1-3H3;/q+1;-1/b13-10+;