methyl 1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(propargylamino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC#C

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC#C

InChI

InChI=1S/C12H18N2O3/c1-3-6-13-11(15)9-14-7-4-10(5-8-14)12(16)17-2/h1,10H,4-9H2,2H3,(H,13,15)/p+1