ethyl (3S)-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(propargylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC#C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC#C

InChI

InChI=1S/C13H20N2O3/c1-3-7-14-12(16)10-15-8-5-6-11(9-15)13(17)18-4-2/h1,11H,4-10H2,2H3,(H,14,16)/p+1/t11-/m0/s1