bis(2-hydroxyethyl)-methyl-octyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: bis(2-hydroxyethyl)-methyl-octyl-azanium; 4-methylbenzenesulfonate Openeye Name: bis(2-hydroxyethyl)-methyl-octyl-ammonium; 4-methylbenzenesulfonate CAS Name: bis(2-hydroxyethyl)-methyl-octylammonium; 4-methylbenzenesulfonate IUPAC Name: bis(2-hydroxyethyl)-methyl-octylazanium; 4-methylbenzenesulfonate Traditional Name: bis(2-hydroxyethyl)-methyl-octyl-ammonium tosylate Formula: C20H37NO5S MolecularWeight: 403.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30NO2.C7H8O3S/c1-3-4-5-6-7-8-9-14(2,10-12-15)11-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,3-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1