(2R)-1-(azepan-1-ium-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-(1,1-dimethylpropoxy)propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-(2-methylbutan-2-yloxy)-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol Traditional Name: (2R)-1-tert-amyloxy-3-(azepan-1-ium-1-yl)propan-2-ol Formula: C14H30NO2+ MolecularWeight: 244.3935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OCC(C[NH+]1CCCCCC1)O

Isomeric SMILES

CCC(C)(C)OC[C@@H](C[NH+]1CCCCCC1)O

InChI

InChI=1S/C14H29NO2/c1-4-14(2,3)17-12-13(16)11-15-9-7-5-6-8-10-15/h13,16H,4-12H2,1-3H3/p+1/t13-/m1/s1