2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O/c1-15-4-5-17(3)20(12-15)25-10-8-24(9-11-25)14-21(26)23-19-13-18(22)7-6-16(19)2/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1