1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H25ClFN2O3+ MolecularWeight: 419.896903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H24ClFN2O3/c1-15(27)16-6-7-21(29-2)17(12-16)13-22(28)26-10-8-25(9-11-26)14-18-19(23)4-3-5-20(18)24/h3-7,12H,8-11,13-14H2,1-2H3/p+1