[1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-methylcarbamate; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-methylcarbamate; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] N-methylcarbamate; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; N-methylcarbamic acid [1-(3-ethylpent-1-yn-3-yl)-3-azetidin-1-iumyl] ester IUPAC Name: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-methylcarbamate; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; N-methylcarbamic acid [1-(1,1-diethylprop-2-ynyl)azetidin-1-ium-3-yl] ester Formula: C16H24N2O6 MolecularWeight: 340.37156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O2.C4H4O4/c1-5-12(6-2,7-3)14-8-10(9-14)16-11(15)13-4;5-3(6)1-2-4(7)8/h1,10H,6-9H2,2-4H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+