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

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[3-[2-[oxidanyl(diphenyl)methyl]phenoxy]propyl]azanium Openeye Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethyl-ammonium tosylate Formula: C32H37NO5S MolecularWeight: 547.70488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C25H30NO2.C7H8O3S/c1-26(2,3)19-12-20-28-24-18-11-10-17-23(24)25(27,21-13-6-4-7-14-21)22-15-8-5-9-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-18,27H,12,19-20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1