bis(3-chloranyl-2-oxidanyl-propyl)-diethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: bis(3-chloranyl-2-oxidanyl-propyl)-diethyl-azanium; 4-methylbenzenesulfonate Openeye Name: bis(3-chloro-2-hydroxy-propyl)-diethyl-ammonium; 4-methylbenzenesulfonate CAS Name: bis(3-chloro-2-hydroxypropyl)-diethylammonium; 4-methylbenzenesulfonate IUPAC Name: bis(3-chloro-2-hydroxypropyl)-diethylazanium; 4-methylbenzenesulfonate Traditional Name: bis(3-chloro-2-hydroxy-propyl)-diethyl-ammonium tosylate Formula: C17H29Cl2NO5S MolecularWeight: 430.38686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1