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

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-styryl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-phenylethenyl]pyridin-1-ium Traditional Name: 1-methyl-2-[(E)-styryl]pyridin-1-ium tosylate Formula: C21H21NO3S MolecularWeight: 367.46134

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H14N.C7H8O3S/c1-15-12-6-5-9-14(15)11-10-13-7-3-2-4-8-13;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/b11-10+;