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

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-(3-methylphenyl)carbamate chloride Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-(m-tolyl)carbamate chloride CAS Name: N-(3-methylphenyl)carbamic 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-(3-methylphenyl)carbamate chloride Traditional Name: N-(m-tolyl)carbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester chloride Formula: C18H25ClN2O2 MolecularWeight: 336.8563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NC2=CC=CC(=C2)C.[Cl-]

Isomeric SMILES

CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NC2=CC=CC(=C2)C.[Cl-]

InChI

InChI=1S/C18H24N2O2.ClH/c1-5-18(6-2,7-3)20-12-16(13-20)22-17(21)19-15-10-8-9-14(4)11-15;/h1,8-11,16H,6-7,12-13H2,2-4H3,(H,19,21);1H