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

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C16H18ClFN3O2S+ MolecularWeight: 370.849423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3O2S/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