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

Systemtic Name: [4-[(4-azanylbutylamino)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate CAS Name: [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C12H22N3O5P MolecularWeight: 319.293941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCCN)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCCN)COP(=O)(O)O

InChI

InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)