5,6-dimethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate; propan-2-ylazanium

Systemtic Name: 5,6-dimethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate; propan-2-ylazanium Openeye Name: isopropylammonium; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5,6-dimethyl-pyridine-3-carboxylate CAS Name: 5,6-dimethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylate; propan-2-ylammonium IUPAC Name: 5,6-dimethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate; propan-2-ylazanium Traditional Name: isopropylammonium; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5,6-dimethyl-nicotinate Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1)C(=O)[O-])C2=NC(C(=O)N2)(C)C(C)C)C.CC(C)[NH3+]

Isomeric SMILES

CC1=C(N=C(C(=C1)C(=O)[O-])C2=NC(C(=O)N2)(C)C(C)C)C.CC(C)[NH3+]

InChI

InChI=1S/C15H19N3O3.C3H9N/c1-7(2)15(5)14(21)17-12(18-15)11-10(13(19)20)6-8(3)9(4)16-11;1-3(2)4/h6-7H,1-5H3,(H,19,20)(H,17,18,21);3H,4H2,1-2H3