3-(2-methylpyridin-1-ium-1-yl)propane-1,2-diol

Systemtic Name: 3-(2-methylpyridin-1-ium-1-yl)propane-1,2-diol Openeye Name: 3-(2-methylpyridin-1-ium-1-yl)propane-1,2-diol CAS Name: 3-(2-methyl-1-pyridin-1-iumyl)propane-1,2-diol IUPAC Name: 3-(2-methylpyridin-1-ium-1-yl)propane-1,2-diol Traditional Name: 3-(2-methylpyridin-1-ium-1-yl)propane-1,2-diol Formula: C9H14NO2+ MolecularWeight: 168.21296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(CO)O

Isomeric SMILES

CC1=CC=CC=[N+]1CC(CO)O

InChI

InChI=1S/C9H14NO2/c1-8-4-2-3-5-10(8)6-9(12)7-11/h2-5,9,11-12H,6-7H2,1H3/q+1