1-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-(2-fluorophenyl)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)Cl)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3F

InChI

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