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

Systemtic Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethyl-azanium Openeye Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethyl-ammonium CAS Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylammonium IUPAC Name: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylazanium Traditional Name: 3-[[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonylamino]propyl-trimethyl-ammonium Formula: C21H28ClN4O2S+ MolecularWeight: 435.99062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN4O2S/c1-26(2,3)16-4-14-23-29(27,28)20-11-9-19(10-12-20)25-15-13-21(24-25)17-5-7-18(22)8-6-17/h5-12,23H,4,13-16H2,1-3H3/q+1