1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-chloro-4-fluoro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(3-chloro-4-fluoro-phenyl)sulfonyl-piperazin-1-ium Formula: C17H19ClFN2O2S+ MolecularWeight: 369.861363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H18ClFN2O2S/c18-16-12-15(6-7-17(16)19)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1