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

Systemtic Name: 3-[1-[2,3-bis(oxidanyl)propyl]-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol sulfate Openeye Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol sulfate CAS Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol sulfate IUPAC Name: 3-[1-(2,3-dihydroxypropyl)-6-methyl-2H-pyridin-1-ium-1-yl]propane-1,2-diol sulfate Traditional Name: 3-(1-glyceryl-6-methyl-2H-pyridin-1-ium-1-yl)propane-1,2-diol sulfate Formula: C24H42N2O12S+2 MolecularWeight: 582.66148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H21NO4.H2O4S/c2*1-10-4-2-3-5-13(10,6-11(16)8-14)7-12(17)9-15;1-5(2,3)4/h2*2-4,11-12,14-17H,1,5-9H2;(H2,1,2,3,4)/q2*+2;/p-2