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

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propane-1,3-diol IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)propane-1,3-diol Formula: C11H18NO2+ MolecularWeight: 196.26612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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