1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H18ClF2N2O2S+ MolecularWeight: 387.851826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17ClF2N2O2S/c18-16-2-1-3-17(20)15(16)12-21-8-10-22(11-9-21)25(23,24)14-6-4-13(19)5-7-14/h1-7H,8-12H2/p+1