azanium 5-methanoyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Systemtic Name: azanium 5-methanoyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: ammonium 5-formyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: ammonium 5-formyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: azanium 5-formyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: ammonium 5-formyl-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C14H19N4O4+ MolecularWeight: 307.32506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C=O)C(=O)O)C.[NH4+]

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C=O)C(=O)O)C.[NH4+]

InChI

InChI=1S/C14H15N3O4.H3N/c1-7(2)14(3)13(21)16-11(17-14)10-9(12(19)20)4-8(6-18)5-15-10;/h4-7H,1-3H3,(H,19,20)(H,16,17,21);1H3/p+1