[1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-ethylcarbamate chloride

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-ethylcarbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-ethylcarbamate chloride CAS Name: N-ethylcarbamic acid [1-(3-ethylpent-1-yn-3-yl)-3-azetidin-1-iumyl] ester chloride IUPAC Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-ethylcarbamate chloride Traditional Name: N-ethylcarbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C13H23ClN2O2 MolecularWeight: 274.78692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NCC.[Cl-]

Isomeric SMILES

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NCC.[Cl-]

InChI

InChI=1S/C13H22N2O2.ClH/c1-5-13(6-2,7-3)15-9-11(10-15)17-12(16)14-8-4;/h1,11H,6-10H2,2-4H3,(H,14,16);1H