2-methylbenzenesulfonate; trimethyl-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]azanium

Systemtic Name: 2-methylbenzenesulfonate; trimethyl-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]azanium Openeye Name: [2-(2-benzylphenoxy)-1-methyl-ethyl]-trimethyl-ammonium; 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonate; trimethyl-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]ammonium IUPAC Name: 1-(2-benzylphenoxy)propan-2-yl-trimethylazanium; 2-methylbenzenesulfonate Traditional Name: [2-(2-benzylphenoxy)-1-methyl-ethyl]-trimethyl-ammonium; 2-methylbesylate Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+](C)(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+](C)(C)C

InChI

InChI=1S/C19H26NO.C7H8O3S/c1-16(20(2,3)4)15-21-19-13-9-8-12-18(19)14-17-10-6-5-7-11-17;1-6-4-2-3-5-7(6)11(8,9)10/h5-13,16H,14-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1