1-ethyl-1-(3-methyl-2-oxidanylidene-butanoyl)piperidin-1-ium-2-carboxylic acid

Systemtic Name: 1-ethyl-1-(3-methyl-2-oxidanylidene-butanoyl)piperidin-1-ium-2-carboxylic acid Openeye Name: 1-ethyl-1-(3-methyl-2-oxo-butanoyl)piperidin-1-ium-2-carboxylic acid CAS Name: 1-ethyl-1-(3-methyl-1,2-dioxobutyl)-2-piperidin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-1-(3-methyl-2-oxobutanoyl)piperidin-1-ium-2-carboxylic acid Traditional Name: 1-ethyl-1-(2-keto-3-methyl-butanoyl)piperidin-1-ium-2-carboxylic acid Formula: C13H22NO4+ MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-4-14(12(16)11(15)9(2)3)8-6-5-7-10(14)13(17)18/h9-10H,4-8H2,1-3H3/p+1