2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]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)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H26FN3O3/c1-16-3-6-18(7-4-16)24-21(27)15-25-9-11-26(12-10-25)22(28)14-17-5-8-20(29-2)19(23)13-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)/p+1