(5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl-trimethyl-azanium bromide hydrate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl-trimethyl-azanium bromide hydrate Openeye Name: (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-trimethyl-ammonium bromide hydrate CAS Name: (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-trimethylammonium bromide hydrate IUPAC Name: (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-trimethylazanium bromide hydrate Traditional Name: (5-carbethoxy-2-keto-4-imidazolin-4-yl)methyl-trimethyl-ammonium bromide hydrate Formula: C10H20BrN3O4 MolecularWeight: 326.1875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N1)C[N+](C)(C)C.O.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N1)C[N+](C)(C)C.O.[Br-]

InChI

InChI=1S/C10H17N3O3.BrH.H2O/c1-5-16-9(14)8-7(6-13(2,3)4)11-10(15)12-8;;/h5-6H2,1-4H3,(H-,11,12,14,15);1H;1H2