bis(trifluoromethylsulfonyl)azanide; (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol Openeye Name: bis(trifluoromethylsulfonyl)azanide; (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol CAS Name: bis(trifluoromethylsulfonyl)azanide; (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3-phenyl-1-propanol IUPAC Name: bis(trifluoromethylsulfonyl)azanide; (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3-phenylpropan-1-ol Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol; ditriflylazanide Formula: C20H28F6N4O5S2 MolecularWeight: 582.580539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1CNC(CC2=CC=CC=C2)CO)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=C[N+](=C1CN[C@@H](CC2=CC=CC=C2)CO)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H28N3O.C2F6NO4S2/c1-3-4-10-21-12-11-20(2)18(21)14-19-17(15-22)13-16-8-6-5-7-9-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9,11-12,17,19,22H,3-4,10,13-15H2,1-2H3;/q+1;-1/t17-;/m0./s1