benzenesulfonate; 3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidin-1-ium

Systemtic Name: benzenesulfonate; 3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidin-1-ium Openeye Name: benzenesulfonate; 3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidin-1-ium CAS Name: benzenesulfonate; 3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidin-1-ium IUPAC Name: benzenesulfonate; 3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidin-1-ium Traditional Name: 3-(4-chlorophenyl)-1,2-dimethyl-5-phenyl-pyrazolidin-1-ium besylate Formula: C23H25ClN2O3S MolecularWeight: 444.9742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(N1C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(CC(N1C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H19ClN2.C6H6O3S/c1-19-16(13-6-4-3-5-7-13)12-17(20(19)2)14-8-10-15(18)11-9-14;7-10(8,9)6-4-2-1-3-5-6/h3-11,16-17H,12H2,1-2H3;1-5H,(H,7,8,9)