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

Systemtic Name: 2-[4-[3-(2-fluoranylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(2-fluorophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(2-fluorophenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(2-fluorophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(2-fluorophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3/c1-17-6-8-18(9-7-17)24-21(27)16-25-11-13-26(14-12-25)22(28)10-15-29-20-5-3-2-4-19(20)23/h2-9H,10-16H2,1H3,(H,24,27)/p+1