2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethyl-azanium

Systemtic Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethyl-azanium Openeye Name: [1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-1-methyl-ethyl]-trimethyl-ammonium CAS Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylammonium IUPAC Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylazanium Traditional Name: [1-[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonyl-1-methyl-ethyl]-trimethyl-ammonium Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)([N+](C)(C)C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)([N+](C)(C)C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN3O2S/c1-21(2,25(3,4)5)28(26,27)19-12-10-18(11-13-19)24-15-14-20(23-24)16-6-8-17(22)9-7-16/h6-13H,14-15H2,1-5H3/q+1