4-methylbenzenesulfonate; 1-(phenylmethyl)pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-(phenylmethyl)pyridin-1-ium Openeye Name: 1-benzylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-(phenylmethyl)pyridin-1-ium IUPAC Name: 1-benzylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-benzylpyridin-1-ium tosylate Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N.C7H8O3S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1