AC1MI5F8

2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylazanium;methyl sulfate

Also Known As: EINECS 267-819-5|(1-((4-(3-(p-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-1-methylethyl)trimethylammonium methyl sulphate|[1-[[4-[3- -4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammoniummethylsulphate|[1-[[4-[3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammonium methyl sulphate|2-[4-[3-(4-chlorophenyl)-4,5-dihydropyrazol-1-yl]phenyl]sulfonylpropan-2-yl-trimethyl-azanium; sulfonatooxymethane|2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylazanium; methyl sulfate|2-{4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}-N,N,N-trimethylpropan-2-aminium methyl sulfate

Molecular Formula	C22H30ClN3O6S2
Molecular Weight	531.12646 g/mol
LogP	3.2634
Topological Polar Surface Area	116.17 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	531.12646
Monoisotopic Mass	531.12646
Heavy Atoms	34
Complexity	1235.0403

Chemical Identifiers

CAS Number	67936-18-9
SMILES	CC(C)([N+](C)(C)C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.COS(=O)(=O)[O-]