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

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H26ClFN3O3S+ MolecularWeight: 418.933743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H25ClFN3O3S/c1-14-4-2-3-7-22(14)13-18(24)21-8-10-23(11-9-21)27(25,26)15-5-6-17(20)16(19)12-15/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1