1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C15H17ClFN2O2S2+ MolecularWeight: 375.889083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H16ClFN2O2S2/c16-13-3-1-4-14(17)12(13)11-18-6-8-19(9-7-18)23(20,21)15-5-2-10-22-15/h1-5,10H,6-9,11H2/p+1