diethyl 2-(4-morpholin-4-ium-4-ylbut-2-ynyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: diethyl 2-(4-morpholin-4-ium-4-ylbut-2-ynyl)-2-prop-2-ynyl-propanedioate Openeye Name: diethyl 2-(4-morpholin-4-ium-4-ylbut-2-ynyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-[4-(4-morpholin-4-iumyl)but-2-ynyl]-2-prop-2-ynylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-morpholin-4-ium-4-ylbut-2-ynyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(4-morpholin-4-ium-4-ylbut-2-ynyl)-2-propargyl-malonic acid diethyl ester Formula: C18H26NO5+ MolecularWeight: 336.40274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#C)(CC#CC[NH+]1CCOCC1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#C)(CC#CC[NH+]1CCOCC1)C(=O)OCC

InChI

InChI=1S/C18H25NO5/c1-4-9-18(16(20)23-5-2,17(21)24-6-3)10-7-8-11-19-12-14-22-15-13-19/h1H,5-6,9-15H2,2-3H3/p+1