1-butyl-3-methyl-imidazol-3-ium; [(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]-(trifluoromethylsulfonyl)azanide

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; [(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]-(trifluoromethylsulfonyl)azanide Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; [(1S)-1-methoxycarbonyl-3-methyl-butyl]-(trifluoromethylsulfonyl)azanide CAS Name: 1-butyl-3-methylimidazol-3-ium; [(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]-(trifluoromethylsulfonyl)azanide IUPAC Name: 1-butyl-3-methylimidazol-3-ium; [(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]-(trifluoromethylsulfonyl)azanide Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; [(1S)-1-carbomethoxy-3-methyl-butyl]-triflyl-azanide Formula: C16H28F3N3O4S MolecularWeight: 415.47143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.CC(C)CC(C(=O)OC)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.CC(C)C[C@@H](C(=O)OC)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H13F3NO4S.C8H15N2/c1-5(2)4-6(7(13)16-3)12-17(14,15)8(9,10)11;1-3-4-5-10-7-6-9(2)8-10/h5-6H,4H2,1-3H3;6-8H,3-5H2,1-2H3/q-1;+1/t6-;/m0./s1