4-methylbenzenesulfonate; trimethyl(4-oxidanylbutyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(4-oxidanylbutyl)azanium Openeye Name: 4-hydroxybutyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-hydroxybutyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: 4-hydroxybutyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: 4-hydroxybutyl(trimethyl)ammonium tosylate Formula: C14H25NO4S MolecularWeight: 303.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H18NO.C7H8O3S/c1-8(2,3)6-4-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1