potassium [6-methyl-5-oxidanyl-4-[[(4-oxidanyl-4-oxidanylidene-butyl)amino]methyl]pyridin-3-yl]methyl hydrogen phosphate

Systemtic Name: potassium [6-methyl-5-oxidanyl-4-[[(4-oxidanyl-4-oxidanylidene-butyl)amino]methyl]pyridin-3-yl]methyl hydrogen phosphate Openeye Name: potassium [5-hydroxy-4-[[(4-hydroxy-4-oxo-butyl)amino]methyl]-6-methyl-3-pyridyl]methyl hydrogen phosphate CAS Name: potassium [5-hydroxy-4-[[(4-hydroxy-4-oxobutyl)amino]methyl]-6-methyl-3-pyridinyl]methyl hydrogen phosphate IUPAC Name: potassium [5-hydroxy-4-[[(4-hydroxy-4-oxobutyl)amino]methyl]-6-methylpyridin-3-yl]methyl hydrogen phosphate Traditional Name: potassium [5-hydroxy-4-[[(4-hydroxy-4-keto-butyl)amino]methyl]-6-methyl-3-pyridyl]methyl hydrogen phosphate Formula: C12H18KN2O7P MolecularWeight: 372.352581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCC(=O)O)COP(=O)(O)[O-].[K+]

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCC(=O)O)COP(=O)(O)[O-].[K+]

InChI

InChI=1S/C12H19N2O7P.K/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20;/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20);/q;+1/p-1