methyl (E)-3-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-ethoxy-2-oxoethyl)-3-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-3-yl]acrylic acid methyl ester Formula: C13H16NO4+ MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C=CC(=O)OC

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)/C=C/C(=O)OC

InChI

InChI=1S/C13H16NO4/c1-3-18-13(16)10-14-8-4-5-11(9-14)6-7-12(15)17-2/h4-9H,3,10H2,1-2H3/q+1/b7-6+