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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C19H21ClFN2O2S+ MolecularWeight: 395.898643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H20ClFN2O2S/c20-18-7-4-8-19(21)17(18)15-22-10-12-23(13-11-22)26(24,25)14-9-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2/p+1/b14-9+