4-methylbenzenesulfonate; trimethyl(phenyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(phenyl)azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl(phenyl)ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl(phenyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(phenyl)azanium Traditional Name: trimethyl(phenyl)ammonium tosylate Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N.C7H8O3S/c1-10(2,3)9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1