4-methylbenzenesulfonate; 1-prop-1-en-2-ylpyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-prop-1-en-2-ylpyridin-1-ium Openeye Name: 1-isopropenylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-(1-methylethenyl)pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-prop-1-en-2-ylpyridin-1-ium Traditional Name: 1-isopropenylpyridin-1-ium tosylate Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N.C7H8O3S/c1-8(2)9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1H2,2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1