(1R)-2-(azepan-1-ium-1-yl)-1-pyridin-2-yl-ethanol

Systemtic Name: (1R)-2-(azepan-1-ium-1-yl)-1-pyridin-2-yl-ethanol Openeye Name: (1R)-2-(azepan-1-ium-1-yl)-1-(2-pyridyl)ethanol CAS Name: (1R)-2-(1-azepan-1-iumyl)-1-(2-pyridinyl)ethanol IUPAC Name: (1R)-2-(azepan-1-ium-1-yl)-1-pyridin-2-ylethanol Traditional Name: (1R)-2-(azepan-1-ium-1-yl)-1-(2-pyridyl)ethanol Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=N2)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=CC=N2)O

InChI

InChI=1S/C13H20N2O/c16-13(12-7-3-4-8-14-12)11-15-9-5-1-2-6-10-15/h3-4,7-8,13,16H,1-2,5-6,9-11H2/p+1/t13-/m1/s1