(1S)-1-(1-methylpyridin-1-ium-2-yl)-2-pyridin-4-yl-ethanol

Systemtic Name: (1S)-1-(1-methylpyridin-1-ium-2-yl)-2-pyridin-4-yl-ethanol Openeye Name: (1S)-1-(1-methylpyridin-1-ium-2-yl)-2-(4-pyridyl)ethanol CAS Name: (1S)-1-(1-methyl-2-pyridin-1-iumyl)-2-pyridin-4-ylethanol IUPAC Name: (1S)-1-(1-methylpyridin-1-ium-2-yl)-2-pyridin-4-ylethanol Traditional Name: (1S)-1-(1-methylpyridin-1-ium-2-yl)-2-(4-pyridyl)ethanol Formula: C13H15N2O+ MolecularWeight: 215.271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(CC2=CC=NC=C2)O

Isomeric SMILES

C[N+]1=CC=CC=C1[C@H](CC2=CC=NC=C2)O

InChI

InChI=1S/C13H15N2O/c1-15-9-3-2-4-12(15)13(16)10-11-5-7-14-8-6-11/h2-9,13,16H,10H2,1H3/q+1/t13-/m0/s1