1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-2-chlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-bromo-2-chloro-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C16H18BrClN3O2S+ MolecularWeight: 431.75502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H17BrClN3O2S/c17-13-4-5-16(15(18)11-13)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2/p+1