methyl 3-ethyl-4-methyl-2-oxidanylidene-6-pyridin-1-ium-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethyl-4-methyl-2-oxidanylidene-6-pyridin-1-ium-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-1-ium-3-yl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-oxo-6-(3-pyridin-1-iumyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-1-ium-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-methyl-6-pyridin-1-ium-3-yl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H18N3O3+ MolecularWeight: 276.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C[NH+]=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C[NH+]=CC=C2)C(=O)OC)C

InChI

InChI=1S/C14H17N3O3/c1-4-17-9(2)11(13(18)20-3)12(16-14(17)19)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19)/p+1