1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-1-ethyl-piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-1-ethyl-piperidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)-1-ethyl-piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-1-ethyl-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)-1-ethylpiperidin-1-ium-2-carboxylate Traditional Name: 1-ethyl-1-(2-keto-3,3-dimethyl-butanoyl)piperidin-1-ium-2-carboxylate Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1C(=O)[O-])C(=O)C(=O)C(C)(C)C

Isomeric SMILES

CC[N+]1(CCCCC1C(=O)[O-])C(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C14H23NO4/c1-5-15(12(17)11(16)14(2,3)4)9-7-6-8-10(15)13(18)19/h10H,5-9H2,1-4H3