N-[(2-chlorophenyl)methyl]-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]propanamide CAS Name: 3-[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]-N-[(2-chlorophenyl)methyl]propanamide IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2-chlorophenyl)methyl]propanamide Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]-N-(2-chlorobenzyl)propionamide Formula: C22H26ClFN3O2+ MolecularWeight: 418.912143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NCC3=CC=CC=C3Cl)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCC(=O)NCC3=CC=CC=C3Cl)F

InChI

InChI=1S/C22H25ClFN3O2/c1-16(28)17-6-7-21(20(24)14-17)27-12-10-26(11-13-27)9-8-22(29)25-15-18-4-2-3-5-19(18)23/h2-7,14H,8-13,15H2,1H3,(H,25,29)/p+1