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

Systemtic Name: hydron; 3-pyridin-1-ium-1-ylpropane-1,2-diol; sulfate Openeye Name: hydron; 3-pyridin-1-ium-1-ylpropane-1,2-diol; sulfate CAS Name: hydron; 3-(1-pyridin-1-iumyl)propane-1,2-diol; sulfate IUPAC Name: hydron; 3-pyridin-1-ium-1-ylpropane-1,2-diol; sulfate Traditional Name: hydron; 3-pyridin-1-ium-1-ylpropane-1,2-diol; sulfate Formula: C8H13NO6S MolecularWeight: 251.25692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[H+].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-1