methyl 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-oxido-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-1-oxido-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=[N+]2[O-])C(=O)OC)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=[N+]2[O-])C(=O)OC)C

InChI

InChI=1S/C14H17N3O4/c1-8(2)14(3)13(19)15-11(16-14)10-9(12(18)21-4)6-5-7-17(10)20/h5-8H,1-4H3,(H,15,16,19)