3-pyridin-1-ium-1-ylpropane-1,2-diol sulfate

Systemtic Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol sulfate Openeye Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol sulfate CAS Name: 3-(1-pyridin-1-iumyl)propane-1,2-diol sulfate IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol sulfate Traditional Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol sulfate Formula: C8H12NO6S- MolecularWeight: 250.24898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12NO2.H2O4S/c10-7-8(11)6-9-4-2-1-3-5-9;1-5(2,3)4/h1-5,8,10-11H,6-7H2;(H2,1,2,3,4)/q+1;/p-2