azanium 5-bromanyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: azanium 5-bromanyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Openeye Name: ammonium 5-bromo-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate CAS Name: ammonium 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylate IUPAC Name: azanium 5-bromo-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Traditional Name: ammonium 5-bromo-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinate Formula: C13H17BrN4O3 MolecularWeight: 357.20308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)[O-])Br)C.[NH4+]

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)[O-])Br)C.[NH4+]

InChI

InChI=1S/C13H14BrN3O3.H3N/c1-6(2)13(3)12(20)16-10(17-13)9-8(11(18)19)4-7(14)5-15-9;/h4-6H,1-3H3,(H,18,19)(H,16,17,20);1H3