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

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C19H22ClFN3O+ MolecularWeight: 362.848883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O/c1-14-2-5-16(12-18(14)21)22-19(25)13-23-8-10-24(11-9-23)17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1