4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]but-2-yn-1-ol

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]but-2-yn-1-ol Openeye Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]but-2-yn-1-ol CAS Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-2-butyn-1-ol IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]but-2-yn-1-ol Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]but-2-yn-1-ol Formula: C11H20NO+ MolecularWeight: 182.2826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC#CCO)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC#CCO)C

InChI

InChI=1S/C11H19NO/c1-10-6-5-7-11(2)12(10)8-3-4-9-13/h10-11,13H,5-9H2,1-2H3/p+1/t10-,11-/m0/s1