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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium Formula: C18H21ClFN2O2S+ MolecularWeight: 383.887943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20ClFN2O2S/c19-18-12-17(20)7-6-16(18)13-21-8-10-22(11-9-21)25(23,24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+1