2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(4-fluorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2/c1-17-2-9-20(10-3-17)24-21(27)16-25-12-14-26(15-13-25)22(28)11-6-18-4-7-19(23)8-5-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,27)/p+1