3,3-dimethyl-2-(2-oxidanylidenebutyl)-4H-pyrimidin-3-ium-4-carboxylate

Systemtic Name: 3,3-dimethyl-2-(2-oxidanylidenebutyl)-4H-pyrimidin-3-ium-4-carboxylate Openeye Name: 3,3-dimethyl-2-(2-oxobutyl)-4H-pyrimidin-3-ium-4-carboxylate CAS Name: 3,3-dimethyl-2-(2-oxobutyl)-4H-pyrimidin-3-ium-4-carboxylate IUPAC Name: 3,3-dimethyl-2-(2-oxobutyl)-4H-pyrimidin-3-ium-4-carboxylate Traditional Name: 2-(2-ketobutyl)-3,3-dimethyl-4H-pyrimidin-3-ium-4-carboxylate Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=NC=CC([N+]1(C)C)C(=O)[O-]

Isomeric SMILES

CCC(=O)CC1=NC=CC([N+]1(C)C)C(=O)[O-]

InChI

InChI=1S/C11H16N2O3/c1-4-8(14)7-10-12-6-5-9(11(15)16)13(10,2)3/h5-6,9H,4,7H2,1-3H3