bis(trifluoromethylsulfonyl)azanide; (1S,2R)-2-[3-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-4,5-dihydroimidazol-3-ium-1-yl]-1-phenyl-propan-1-ol

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; (1S,2R)-2-[3-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-4,5-dihydroimidazol-3-ium-1-yl]-1-phenyl-propan-1-ol Openeye Name: bis(trifluoromethylsulfonyl)azanide; (1S,2R)-2-[3-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-4,5-dihydroimidazol-3-ium-1-yl]-1-phenyl-propan-1-ol CAS Name: bis(trifluoromethylsulfonyl)azanide; (1S,2R)-2-[3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-4,5-dihydroimidazol-3-ium-1-yl]-1-phenyl-1-propanol IUPAC Name: bis(trifluoromethylsulfonyl)azanide; (1S,2R)-2-[3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-4,5-dihydroimidazol-3-ium-1-yl]-1-phenylpropan-1-ol Traditional Name: ditriflylazanide; (1S,2R)-2-[3-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-2-imidazolin-3-ium-1-yl]-1-phenyl-propan-1-ol Formula: C23H27F6N3O6S2 MolecularWeight: 619.597399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N2CC[N+](=C2)C(C)C(C3=CC=CC=C3)O.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)N2CC[N+](=C2)[C@H](C)[C@H](C3=CC=CC=C3)O.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H27N2O2.C2F6NO4S2/c1-16(20(24)18-9-5-3-6-10-18)22-13-14-23(15-22)17(2)21(25)19-11-7-4-8-12-19;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-12,15-17,20-21,24-25H,13-14H2,1-2H3;/q+1;-1/t16-,17-,20-,21-;/m1./s1