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

Systemtic Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl] 2-methylprop-2-enoate; methyl sulfate Openeye Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl] 2-methylprop-2-enoate; methyl sulfate CAS Name: 2-methyl-2-propenoic acid [4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]phenyl] ester; methyl sulfate IUPAC Name: [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl] 2-methylprop-2-enoate; methyl sulfate Traditional Name: 2-methylacrylic acid [4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl] ester; methyl sulfate Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H18NO2.CH4O4S/c1-14(2)18(20)21-17-8-6-15(7-9-17)4-5-16-10-12-19(3)13-11-16;1-5-6(2,3)4/h4-13H,1H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1/b5-4+;