N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C14H18ClFN3O2+ MolecularWeight: 314.763023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H17ClFN3O2/c1-18(7-10-11(15)3-2-4-12(10)16)14(21)9-19-6-5-17-13(20)8-19/h2-4H,5-9H2,1H3,(H,17,20)/p+1