4-methylbenzenesulfonate; trimethyl(3-oxidanylpropyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 3-hydroxypropyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: 3-hydroxypropyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 3-hydroxypropyl(trimethyl)ammonium tosylate Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H16NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(2,3)5-4-6-8/h2-5H,1H3,(H,8,9,10);8H,4-6H2,1-3H3/q;+1/p-1