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

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-propylcarbamate chloride CAS Name: N-propylcarbamic 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-propylcarbamate chloride Traditional Name: N-propylcarbamic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O2.ClH/c1-5-9-15-13(17)18-12-10-16(11-12)14(6-2,7-3)8-4;/h2,12H,5,7-11H2,1,3-4H3,(H,15,17);1H