4-methylbenzenesulfonate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: benzyl(trimethyl)ammonium tosylate Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N.C7H8O3S/c1-11(2,3)9-10-7-5-4-6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1