2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl-dimethyl-azanium methanoate

Systemtic Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl-dimethyl-azanium methanoate Openeye Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl-dimethyl-ammonium formate CAS Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl-dimethylammonium formate IUPAC Name: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl-dimethylazanium formate Traditional Name: 2-[4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]phenyl]sulfonylethyl-dimethyl-ammonium formate Formula: C20H24ClN3O4S MolecularWeight: 437.94026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.C(=O)[O-]

InChI

InChI=1S/C19H22ClN3O2S.CH2O2/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15;2-1-3/h3-10H,11-14H2,1-2H3;1H,(H,2,3)