1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C19H27ClFN4O4S+ MolecularWeight: 461.958483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClFN4O4S/c1-22-19(27)14-4-6-23(7-5-14)13-18(26)24-8-10-25(11-9-24)30(28,29)15-2-3-17(21)16(20)12-15/h2-3,12,14H,4-11,13H2,1H3,(H,22,27)/p+1