(2R)-1-(2-methylpent-4-yn-2-yloxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-(2-methylpent-4-yn-2-yloxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-(1,1-dimethylbut-3-ynoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-(2-methylpent-4-yn-2-yloxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(2-methylpent-4-yn-2-yloxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-(1,1-dimethylbut-3-ynoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C13H24NO2+ MolecularWeight: 226.33516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#C)OCC(C[NH+]1CCCC1)O

Isomeric SMILES

CC(C)(CC#C)OC[C@@H](C[NH+]1CCCC1)O

InChI

InChI=1S/C13H23NO2/c1-4-7-13(2,3)16-11-12(15)10-14-8-5-6-9-14/h1,12,15H,5-11H2,2-3H3/p+1/t12-/m1/s1