1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H24ClFN3O3S+ MolecularWeight: 404.907163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H23ClFN3O3S/c18-15-12-14(4-5-16(15)19)26(24,25)22-10-8-21(9-11-22)17(23)13-20-6-2-1-3-7-20/h4-5,12H,1-3,6-11,13H2/p+1