hexyl(trimethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: hexyl(trimethyl)azanium; 4-methylbenzenesulfonate Openeye Name: hexyl(trimethyl)ammonium; 4-methylbenzenesulfonate CAS Name: hexyl(trimethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: hexyl(trimethyl)azanium; 4-methylbenzenesulfonate Traditional Name: hexyl(trimethyl)ammonium tosylate Formula: C16H29NO3S MolecularWeight: 315.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22N.C7H8O3S/c1-5-6-7-8-9-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1