2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C13H18ClFN3O+ MolecularWeight: 286.752923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H17ClFN3O/c14-12-7-11(15)2-1-10(12)8-17-3-5-18(6-4-17)9-13(16)19/h1-2,7H,3-6,8-9H2,(H2,16,19)/p+1