dimethyl 2-[(E)-3-piperidin-1-ium-1-ylprop-2-enylidene]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-piperidin-1-ium-1-ylprop-2-enylidene]propanedioate Openeye Name: dimethyl 2-[(E)-3-piperidin-1-ium-1-ylprop-2-enylidene]propanedioate CAS Name: 2-[(E)-3-(1-piperidin-1-iumyl)prop-2-enylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-piperidin-1-ium-1-ylprop-2-enylidene]propanedioate Traditional Name: 2-[(E)-3-piperidin-1-ium-1-ylprop-2-enylidene]malonic acid dimethyl ester Formula: C13H20NO4+ MolecularWeight: 254.3022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC=C[NH+]1CCCCC1)C(=O)OC

Isomeric SMILES

COC(=O)C(=C/C=C/[NH+]1CCCCC1)C(=O)OC

InChI

InChI=1S/C13H19NO4/c1-17-12(15)11(13(16)18-2)7-6-10-14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3/p+1/b10-6+