2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(3-methylphenoxy)ethyl]acetamide IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Traditional Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

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