diethyl 2-[(2S)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl]propanedioate

Systemtic Name: diethyl 2-[(2S)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl]propanedioate Openeye Name: diethyl 2-[(1S)-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl]propanedioate CAS Name: 2-[(2S)-5-(1-piperidin-1-iumyl)pent-3-yn-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2S)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl]propanedioate Traditional Name: 2-[(1S)-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl]malonic acid diethyl ester Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4/c1-4-21-16(19)15(17(20)22-5-2)14(3)10-9-13-18-11-7-6-8-12-18/h14-15H,4-8,11-13H2,1-3H3/p+1/t14-/m1/s1