[4-(aminomethyl)-1,6-dimethyl-5-oxidanyl-pyridin-1-ium-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-(aminomethyl)-1,6-dimethyl-5-oxidanyl-pyridin-1-ium-3-yl]methyl dihydrogen phosphate Openeye Name: [4-(aminomethyl)-5-hydroxy-1,6-dimethyl-pyridin-1-ium-3-yl]methyl dihydrogen phosphate CAS Name: [4-(aminomethyl)-5-hydroxy-1,6-dimethyl-3-pyridin-1-iumyl]methyl dihydrogen phosphate IUPAC Name: [4-(aminomethyl)-5-hydroxy-1,6-dimethylpyridin-1-ium-3-yl]methyl dihydrogen phosphate Traditional Name: [4-(aminomethyl)-5-hydroxy-1,6-dimethyl-pyridin-1-ium-3-yl]methyl dihydrogen phosphate Formula: C9H16N2O5P+ MolecularWeight: 263.207501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)CN)COP(=O)(O)O)C

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)CN)COP(=O)(O)O)C

InChI

InChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11(6)2)5-16-17(13,14)15/h4H,3,5,10H2,1-2H3,(H2-,12,13,14,15)/p+1