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

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-cyclohexylcarbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-cyclohexylcarbamate chloride CAS Name: N-cyclohexylcarbamic 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-cyclohexylcarbamate chloride Traditional Name: N-cyclohexylcarbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C17H29ClN2O2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NC2CCCCC2.[Cl-]

Isomeric SMILES

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NC2CCCCC2.[Cl-]

InChI

InChI=1S/C17H28N2O2.ClH/c1-4-17(5-2,6-3)19-12-15(13-19)21-16(20)18-14-10-8-7-9-11-14;/h1,14-15H,5-13H2,2-3H3,(H,18,20);1H