[1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-propan-2-ylcarbamate chloride

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-propan-2-ylcarbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-isopropylcarbamate chloride CAS Name: N-propan-2-ylcarbamic 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-propan-2-ylcarbamate chloride Traditional Name: N-isopropylcarbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C14H25ClN2O2 MolecularWeight: 288.8135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O2.ClH/c1-6-14(7-2,8-3)16-9-12(10-16)18-13(17)15-11(4)5;/h1,11-12H,7-10H2,2-5H3,(H,15,17);1H