2-[4-[5-(2-fluorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[5-(2-fluorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[[5-(2-fluorophenyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[5-(2-fluorophenyl)-2-furoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C24H25FN3O3+ MolecularWeight: 422.472003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O3/c1-17-6-8-18(9-7-17)26-23(29)16-27-12-14-28(15-13-27)24(30)22-11-10-21(31-22)19-4-2-3-5-20(19)25/h2-11H,12-16H2,1H3,(H,26,29)/p+1