2-methylbenzenesulfonate; trihexyl-(phenylmethyl)azanium

Systemtic Name: 2-methylbenzenesulfonate; trihexyl-(phenylmethyl)azanium Openeye Name: benzyl(trihexyl)ammonium; 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonate; trihexyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trihexyl)azanium; 2-methylbenzenesulfonate Traditional Name: benzyl(trihexyl)ammonium; 2-methylbesylate Formula: C32H53NO3S MolecularWeight: 531.83312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=CC=CC=C1.CC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=CC=CC=C1.CC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C25H46N.C7H8O3S/c1-4-7-10-16-21-26(22-17-11-8-5-2,23-18-12-9-6-3)24-25-19-14-13-15-20-25;1-6-4-2-3-5-7(6)11(8,9)10/h13-15,19-20H,4-12,16-18,21-24H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1