(2S)-4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-[4-(trifluoromethyl)benzoyl]piperazin-1-ium-2-carboxamide Formula: C13H15F3N3O2+ MolecularWeight: 302.27231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C(=O)N)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(C[C@H]([NH2+]1)C(=O)N)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O2/c14-13(15,16)9-3-1-8(2-4-9)12(21)19-6-5-18-10(7-19)11(17)20/h1-4,10,18H,5-7H2,(H2,17,20)/p+1/t10-/m0/s1