1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(isopropylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(propan-2-ylamino)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(isopropylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCC(CC1)C(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCC(CC1)C(=O)[O-]

InChI

InChI=1S/C11H20N2O3/c1-8(2)12-10(14)7-13-5-3-9(4-6-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)