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

Systemtic Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-[(E)-2-(4-methoxyphenyl)vinyl]pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[(E)-2-(4-methoxyphenyl)vinyl]pyridin-1-ium tosylate Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)C=C[N+]2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)/C=C/[N+]2=CC=CC=C2

InChI

InChI=1S/C14H14NO.C7H8O3S/c1-16-14-7-5-13(6-8-14)9-12-15-10-3-2-4-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-9+;