1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C18H21F2N2O2S+ MolecularWeight: 367.433346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H20F2N2O2S/c19-17-7-6-16(14-18(17)20)25(23,24)22-12-10-21(11-13-22)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2/p+1