(Z)-1,3-dimethoxy-3-oxidanylidene-2-(4-propan-2-ylpyridin-1-ium-1-yl)prop-1-en-1-olate

Systemtic Name: (Z)-1,3-dimethoxy-3-oxidanylidene-2-(4-propan-2-ylpyridin-1-ium-1-yl)prop-1-en-1-olate Openeye Name: (Z)-2-(4-isopropylpyridin-1-ium-1-yl)-1,3-dimethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-1,3-dimethoxy-3-oxo-2-(4-propan-2-yl-1-pyridin-1-iumyl)-1-propen-1-olate IUPAC Name: (Z)-1,3-dimethoxy-3-oxo-2-(4-propan-2-ylpyridin-1-ium-1-yl)prop-1-en-1-olate Traditional Name: (Z)-2-(4-isopropylpyridin-1-ium-1-yl)-3-keto-1,3-dimethoxy-prop-1-en-1-olate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(2)10-5-7-14(8-6-10)11(12(15)17-3)13(16)18-4/h5-9H,1-4H3