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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C23H28FN3O3/c1-17(28)19-5-7-20(8-6-19)27-12-10-26(11-13-27)16-23(29)25(2)15-18-4-9-22(30-3)21(24)14-18/h4-9,14H,10-13,15-16H2,1-3H3/p+1