disodium 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-piperidin-3-yl-pyridine-3-carboxylate

Systemtic Name: disodium 1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-piperidin-3-yl-pyridine-3-carboxylate Openeye Name: disodium 1-(4-hydroxy-2-methyl-phenyl)-4-oxo-6-(3-piperidyl)pyridine-3-carboxylate CAS Name: disodium 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-(3-piperidinyl)-3-pyridinecarboxylate IUPAC Name: disodium 1-(4-hydroxy-2-methylphenyl)-4-oxo-6-piperidin-3-ylpyridine-3-carboxylate Traditional Name: disodium 1-(4-hydroxy-2-methyl-phenyl)-4-keto-6-(3-piperidyl)nicotinate Formula: C18H19N2Na2O4+ MolecularWeight: 373.334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C3CCCNC3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C=C2C3CCCNC3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H20N2O4.2Na/c1-11-7-13(21)4-5-15(11)20-10-14(18(23)24)17(22)8-16(20)12-3-2-6-19-9-12;;/h4-5,7-8,10,12,19,21H,2-3,6,9H2,1H3,(H,23,24);;/q;2*+1/p-1