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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-fluoro-3-methyl-benzyl)acetamide Formula: C20H24ClFN3O+ MolecularWeight: 376.875463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C20H23ClFN3O/c1-15-11-16(5-6-19(15)22)13-23-20(26)14-24-7-9-25(10-8-24)18-4-2-3-17(21)12-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,26)/p+1