2-methylbenzenesulfonate; trimethyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium

Systemtic Name: 2-methylbenzenesulfonate; trimethyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium Openeye Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethyl-ammonium; 2-methylbenzenesulfonate CAS Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethylammonium; 2-methylbenzenesulfonate IUPAC Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethylazanium; 2-methylbenzenesulfonate Traditional Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethyl-ammonium; 2-methylbesylate Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O

InChI

InChI=1S/C19H26NO2.C7H8O3S/c1-20(2,3)14-9-15-22-18-13-8-7-12-17(18)19(21)16-10-5-4-6-11-16;1-6-4-2-3-5-7(6)11(8,9)10/h4-8,10-13,19,21H,9,14-15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1