1-[bis(4-fluorophenyl)methyl]-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[bis(4-fluorophenyl)methyl]-4-(6-chloranylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[bis(4-fluorophenyl)methyl]-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-(6-chloropyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[bis(4-fluorophenyl)methyl]-4-[(6-chloro-3-pyridyl)sulfonyl]piperazin-1-ium Formula: C22H21ClF2N3O2S+ MolecularWeight: 464.935846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H20ClF2N3O2S/c23-21-10-9-20(15-26-21)31(29,30)28-13-11-27(12-14-28)22(16-1-5-18(24)6-2-16)17-3-7-19(25)8-4-17/h1-10,15,22H,11-14H2/p+1