[1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride

Systemtic Name: [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride Openeye Name: [1-(1,1-dimethylprop-2-ynyl)azetidin-1-ium-3-yl] N-propylcarbamate chloride CAS Name: N-propylcarbamic acid [1-(2-methylbut-3-yn-2-yl)-3-azetidin-1-iumyl] ester chloride IUPAC Name: [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride Traditional Name: N-propylcarbamic acid [1-(1,1-dimethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C12H21ClN2O2 MolecularWeight: 260.76034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1C[NH+](C1)C(C)(C)C#C.[Cl-]

Isomeric SMILES

CCCNC(=O)OC1C[NH+](C1)C(C)(C)C#C.[Cl-]

InChI

InChI=1S/C12H20N2O2.ClH/c1-5-7-13-11(15)16-10-8-14(9-10)12(3,4)6-2;/h2,10H,5,7-9H2,1,3-4H3,(H,13,15);1H