(2S)-2-piperazin-4-ium-1-yl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,3,4-trifluorophenyl)propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(2,3,4-trifluorophenyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,3,4-trifluorophenyl)propanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,3,4-trifluorophenyl)propionamide Formula: C13H17F3N3O+ MolecularWeight: 288.28879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C13H16F3N3O/c1-8(19-6-4-17-5-7-19)13(20)18-10-3-2-9(14)11(15)12(10)16/h2-3,8,17H,4-7H2,1H3,(H,18,20)/p+1/t8-/m0/s1