(2S)-2-piperazin-4-ium-1-yl-N-[2,4,5-tris(chloranyl)phenyl]propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-[2,4,5-tris(chloranyl)phenyl]propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,5-trichlorophenyl)propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(2,4,5-trichlorophenyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,5-trichlorophenyl)propanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,5-trichlorophenyl)propionamide Formula: C13H17Cl3N3O+ MolecularWeight: 337.65258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)N2CC[NH2+]CC2

InChI

InChI=1S/C13H16Cl3N3O/c1-8(19-4-2-17-3-5-19)13(20)18-12-7-10(15)9(14)6-11(12)16/h6-8,17H,2-5H2,1H3,(H,18,20)/p+1/t8-/m0/s1