4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]benzaldehyde; methyl sulfate CAS Name: 4-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]benzaldehyde; methyl sulfate IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]benzaldehyde; methyl sulfate Traditional Name: 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]benzaldehyde; methyl sulfate Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)C=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)C=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H14NO.CH4O4S/c1-16-11-3-2-4-15(16)10-9-13-5-7-14(12-17)8-6-13;1-5-6(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)/q+1;/p-1/b10-9+;