(3-chloranyl-2-oxidanyl-propyl)-methyl-bis(prop-2-enyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-methyl-bis(prop-2-enyl)azanium; 4-methylbenzenesulfonate Openeye Name: diallyl-(3-chloro-2-hydroxy-propyl)-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: (3-chloro-2-hydroxypropyl)-methyl-bis(prop-2-enyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: (3-chloro-2-hydroxypropyl)-methyl-bis(prop-2-enyl)azanium; 4-methylbenzenesulfonate Traditional Name: diallyl-(3-chloro-2-hydroxy-propyl)-methyl-ammonium tosylate Formula: C17H26ClNO4S MolecularWeight: 375.91064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19ClNO.C7H8O3S/c1-4-6-12(3,7-5-2)9-10(13)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,10,13H,1-2,6-9H2,3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1