3-[1-[2,3-bis(oxidanyl)propyl]-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: 3-[1-[2,3-bis(oxidanyl)propyl]-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol Openeye Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol CAS Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol IUPAC Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol Traditional Name: 3-(1-glyceryl-6-methyl-2H-pyridin-1-ium-1-yl)propane-1,2-diol Formula: C12H21NO4+2 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

[CH2+]C1=CC=CC[N+]1(CC(CO)O)CC(CO)O

Isomeric SMILES

[CH2+]C1=CC=CC[N+]1(CC(CO)O)CC(CO)O

InChI

InChI=1S/C12H21NO4/c1-10-4-2-3-5-13(10,6-11(16)8-14)7-12(17)9-15/h2-4,11-12,14-17H,1,5-9H2/q+2