2-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C20H22F2N3O2+ MolecularWeight: 374.404386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)F

InChI

InChI=1S/C20H21F2N3O2/c1-14-5-6-15(11-18(14)22)20(27)25-9-7-24(8-10-25)13-19(26)23-17-4-2-3-16(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)/p+1