1-[2-fluoranyl-4-(phenylsulfonyl)phenyl]piperazin-4-ium

Systemtic Name: 1-[2-fluoranyl-4-(phenylsulfonyl)phenyl]piperazin-4-ium Openeye Name: 1-[4-(benzenesulfonyl)-2-fluoro-phenyl]piperazin-4-ium CAS Name: 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazin-4-ium IUPAC Name: 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazin-4-ium Traditional Name: 1-(4-besyl-2-fluoro-phenyl)piperazin-4-ium Formula: C16H18FN2O2S+ MolecularWeight: 321.389723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C16H17FN2O2S/c17-15-12-14(22(20,21)13-4-2-1-3-5-13)6-7-16(15)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2/p+1