methyl (Z)-2-(4-ethanoylpyridin-1-ium-1-yl)-3-methoxy-3-oxidanyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-(4-ethanoylpyridin-1-ium-1-yl)-3-methoxy-3-oxidanyl-prop-2-enoate Openeye Name: methyl (Z)-2-(4-acetylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-prop-2-enoate CAS Name: (Z)-2-(4-acetyl-1-pyridin-1-iumyl)-3-hydroxy-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-(4-acetylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxyprop-2-enoate Traditional Name: (Z)-2-(4-acetylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-acrylic acid methyl ester Formula: C12H14NO5+ MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(14)9-4-6-13(7-5-9)10(11(15)17-2)12(16)18-3/h4-7H,1-3H3/p+1