diethyl 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)propanedioate

Systemtic Name: diethyl 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)propanedioate Openeye Name: diethyl 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)propanedioate CAS Name: 2-[4-(1-piperidin-1-iumyl)but-2-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)propanedioate Traditional Name: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)malonic acid diethyl ester Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC[NH+]1CCCCC1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC[NH+]1CCCCC1)C(=O)OCC

InChI

InChI=1S/C16H25NO4/c1-3-20-15(18)14(16(19)21-4-2)10-6-9-13-17-11-7-5-8-12-17/h14H,3-5,7-8,10-13H2,1-2H3/p+1