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

Systemtic Name: 2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(2-fluorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(2-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=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3F

InChI

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