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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-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(=CC=C3)F)OC

Isomeric SMILES

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

InChI

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