sodium 4-carboxy-2,6-dimethyl-3,5-di(propanoyl)-4H-pyridine-1-carboxylate

Systemtic Name: sodium 4-carboxy-2,6-dimethyl-3,5-di(propanoyl)-4H-pyridine-1-carboxylate Openeye Name: sodium 4-carboxy-2,6-dimethyl-3,5-di(propanoyl)-4H-pyridine-1-carboxylate CAS Name: sodium 4-carboxy-2,6-dimethyl-3,5-bis(1-oxopropyl)-4H-pyridine-1-carboxylate IUPAC Name: sodium 4-carboxy-2,6-dimethyl-3,5-di(propanoyl)-4H-pyridine-1-carboxylate Traditional Name: sodium 4-carboxy-2,6-dimethyl-3,5-dipropionyl-4H-pyridine-1-carboxylate Formula: C15H18NNaO6 MolecularWeight: 331.29629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N(C(=C(C1C(=O)O)C(=O)CC)C)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCC(=O)C1=C(N(C(=C(C1C(=O)O)C(=O)CC)C)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H19NO6.Na/c1-5-9(17)11-7(3)16(15(21)22)8(4)12(10(18)6-2)13(11)14(19)20;/h13H,5-6H2,1-4H3,(H,19,20)(H,21,22);/q;+1/p-1