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

Systemtic Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol chloride Openeye Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol chloride CAS Name: 3-(1-pyridin-1-iumyl)propane-1,2-diol chloride IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol chloride Traditional Name: 3-pyridin-1-ium-1-ylpropane-1,2-diol chloride Formula: C8H12ClNO2 MolecularWeight: 189.63938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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