diethyl-(hexylsulfonylmethyl)-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-(hexylsulfonylmethyl)-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-(hexylsulfonylmethyl)-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-(hexylsulfonylmethyl)-methylammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-(hexylsulfonylmethyl)-methylazanium; 4-methylbenzenesulfonate Traditional Name: diethyl-(hexylsulfonylmethyl)-methyl-ammonium tosylate Formula: C19H35NO5S2 MolecularWeight: 421.6149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28NO2S.C7H8O3S/c1-5-8-9-10-11-16(14,15)12-13(4,6-2)7-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-12H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1