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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OC

InChI

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