[4-[[2-azanylethyl(naphthalen-1-yl)amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-[[2-azanylethyl(naphthalen-1-yl)amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [4-[[2-aminoethyl(1-naphthyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate CAS Name: [4-[[2-aminoethyl(1-naphthalenyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [4-[[2-aminoethyl(naphthalen-1-yl)amino]methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [4-[[2-aminoethyl(1-naphthyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C20H24N3O5P MolecularWeight: 417.395421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CN(CCN)C2=CC=CC3=CC=CC=C32)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN(CCN)C2=CC=CC3=CC=CC=C32)COP(=O)(O)O

InChI

InChI=1S/C20H24N3O5P/c1-14-20(24)18(16(11-22-14)13-28-29(25,26)27)12-23(10-9-21)19-8-4-6-15-5-2-3-7-17(15)19/h2-8,11,24H,9-10,12-13,21H2,1H3,(H2,25,26,27)