4-methylbenzenesulfonate; trimethyl(2-phenoxyethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(2-phenoxyethyl)azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl(2-phenoxyethyl)ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl(2-phenoxyethyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(2-phenoxyethyl)azanium Traditional Name: trimethyl(2-phenoxyethyl)ammonium tosylate Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCOC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCOC1=CC=CC=C1

InChI

InChI=1S/C11H18NO.C7H8O3S/c1-12(2,3)9-10-13-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,9-10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1