[4-(aminomethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate dihydrate

Systemtic Name: [4-(aminomethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate dihydrate Openeye Name: [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate dihydrate CAS Name: [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate dihydrate IUPAC Name: [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate dihydrate Traditional Name: [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate dihydrate Formula: C8H17N2O7P MolecularWeight: 284.203541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CN)COP(=O)(O)O.O.O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN)COP(=O)(O)O.O.O

InChI

InChI=1S/C8H13N2O5P.2H2O/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14;;/h3,11H,2,4,9H2,1H3,(H2,12,13,14);2*1H2