2-[4-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H27ClFN4O2+ MolecularWeight: 433.926783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26ClFN4O2/c1-26(14-17-3-2-4-18(23)13-17)22(30)16-28-11-9-27(10-12-28)15-21(29)25-20-7-5-19(24)6-8-20/h2-8,13H,9-12,14-16H2,1H3,(H,25,29)/p+1