2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone Formula: C19H21ClFN2O4S+ MolecularWeight: 427.897443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20ClFN2O4S/c1-27-18-7-4-15(20)12-19(18)28(25,26)23-10-8-22(9-11-23)13-17(24)14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3/p+1