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

Systemtic Name: diethyl-methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium; 2-methylbenzenesulfonate Openeye Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methyl-ammonium; 2-methylbenzenesulfonate CAS Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylammonium; 2-methylbenzenesulfonate IUPAC Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium; 2-methylbenzenesulfonate Traditional Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methyl-ammonium; 2-methylbesylate Formula: C28H37NO5S MolecularWeight: 499.66208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO2.C7H8O3S/c1-4-22(3,5-2)16-11-17-24-20-15-10-9-14-19(20)21(23)18-12-7-6-8-13-18;1-6-4-2-3-5-7(6)11(8,9)10/h6-10,12-15,21,23H,4-5,11,16-17H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1