2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol chloride

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol chloride Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol chloride CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propane-1,3-diol chloride IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol chloride Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol chloride Formula: C11H18ClNO2 MolecularWeight: 231.71912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C(CO)CO)C.[Cl-]

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C(CO)CO)C.[Cl-]

InChI

InChI=1S/C11H18NO2.ClH/c1-8-4-9(2)12(10(3)5-8)11(6-13)7-14;/h4-5,11,13-14H,6-7H2,1-3H3;1H/q+1;/p-1