dimethyl 2-[(E)-3-morpholin-4-ium-4-ylprop-2-enylidene]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-morpholin-4-ium-4-ylprop-2-enylidene]propanedioate Openeye Name: dimethyl 2-[(E)-3-morpholin-4-ium-4-ylprop-2-enylidene]propanedioate CAS Name: 2-[(E)-3-(4-morpholin-4-iumyl)prop-2-enylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-morpholin-4-ium-4-ylprop-2-enylidene]propanedioate Traditional Name: 2-[(E)-3-morpholin-4-ium-4-ylprop-2-enylidene]malonic acid dimethyl ester Formula: C12H18NO5+ MolecularWeight: 256.27502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC=C[NH+]1CCOCC1)C(=O)OC

Isomeric SMILES

COC(=O)C(=C/C=C/[NH+]1CCOCC1)C(=O)OC

InChI

InChI=1S/C12H17NO5/c1-16-11(14)10(12(15)17-2)4-3-5-13-6-8-18-9-7-13/h3-5H,6-9H2,1-2H3/p+1/b5-3+