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

Systemtic Name: ethyl (E,2R)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-1-yl-hex-3-enoate Openeye Name: ethyl (E,2R)-2-methyl-5-oxo-4-pyridin-1-ium-1-yl-hex-3-enoate CAS Name: (E,2R)-2-methyl-5-oxo-4-(1-pyridin-1-iumyl)-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E,2R)-2-methyl-5-oxo-4-pyridin-1-ium-1-ylhex-3-enoate Traditional Name: (E,2R)-5-keto-2-methyl-4-pyridin-1-ium-1-yl-hex-3-enoic acid ethyl ester Formula: C14H18NO3+ MolecularWeight: 248.29762

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

Isomeric SMILES

CCOC(=O)[C@H](C)/C=C(\C(=O)C)/[N+]1=CC=CC=C1

InChI

InChI=1S/C14H18NO3/c1-4-18-14(17)11(2)10-13(12(3)16)15-8-6-5-7-9-15/h5-11H,4H2,1-3H3/q+1/b13-10+/t11-/m1/s1