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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O2.ClH/c1-5-9-10-16-14(18)19-13-11-17(12-13)15(6-2,7-3)8-4;/h2,13H,5,7-12H2,1,3-4H3,(H,16,18);1H