1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-tosyl-piperazin-1-ium Formula: C18H21ClFN2O2S+ MolecularWeight: 383.887943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H20ClFN2O2S/c1-14-5-7-15(8-6-14)25(23,24)22-11-9-21(10-12-22)13-16-17(19)3-2-4-18(16)20/h2-8H,9-13H2,1H3/p+1