2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1-methyl-pyridin-1-ium tosylate Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H16NO.C7H8O3S/c1-16-12-4-3-5-14(16)9-6-13-7-10-15(17-2)11-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b9-6+;