2-hydroxyethyl-methyl-octyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-hydroxyethyl-methyl-octyl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-hydroxyethyl-methyl-octyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-hydroxyethyl-methyl-octylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxyethyl-methyl-octylazanium; 4-methylbenzenesulfonate Traditional Name: 2-hydroxyethyl-methyl-octyl-ammonium tosylate Formula: C18H33NO4S MolecularWeight: 359.52392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H25NO.C7H8O3S/c1-3-4-5-6-7-8-9-12(2)10-11-13;1-6-2-4-7(5-3-6)11(8,9)10/h13H,3-11H2,1-2H3;2-5H,1H3,(H,8,9,10)