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

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-tert-butylcarbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-tert-butylcarbamate chloride CAS Name: N-tert-butylcarbamic 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-tert-butylcarbamate chloride Traditional Name: N-tert-butylcarbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C15H27ClN2O2 MolecularWeight: 302.84008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O2.ClH/c1-7-15(8-2,9-3)17-10-12(11-17)19-13(18)16-14(4,5)6;/h1,12H,8-11H2,2-6H3,(H,16,18);1H