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

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-ylazanium Openeye Name: isopropylammonium; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid; propan-2-ylammonium IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-ylazanium Traditional Name: isopropylammonium; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.CC(C)[NH3+]

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.CC(C)[NH3+]

InChI

InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3/p+1