2-[4-[[(2R,3R,4S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]methyl]phenyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-[[(2R,3R,4S)-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]methyl]phenyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]guanidine; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]phenyl]guanidine; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-[[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]guanidine; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-[[(2R,3R,4S)-3,4-dihydroxy-2-methylol-pyrrolidino]methyl]phenyl]guanidine; 2,2,2-trifluoroacetic acid Formula: C15H21F3N4O5 MolecularWeight: 394.34625

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(N1CC2=CC=C(C=C2)N=C(N)N)CO)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](N1CC2=CC=C(C=C2)N=C(N)N)CO)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H20N4O3.C2HF3O2/c14-13(15)16-9-3-1-8(2-4-9)5-17-6-11(19)12(20)10(17)7-18;3-2(4,5)1(6)7/h1-4,10-12,18-20H,5-7H2,(H4,14,15,16);(H,6,7)/t10-,11+,12-;/m1./s1