butan-2-yl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate

Systemtic Name: butan-2-yl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate Openeye Name: sec-butyl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzoic acid sec-butyl ester Formula: C19H22NO2+ MolecularWeight: 296.38348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C

Isomeric SMILES

CCC(C)OC(=O)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C

InChI

InChI=1S/C19H22NO2/c1-4-15(2)22-19(21)18-9-7-16(8-10-18)5-6-17-11-13-20(3)14-12-17/h5-15H,4H2,1-3H3/q+1/b6-5+