1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-pyridin-4-yl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-pyridin-4-yl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-3-(4-pyridyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-3-pyridin-4-yl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-propyl-3-pyridin-4-ylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-3-(4-pyridyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)O)C2=CC=NC=C2)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)O)C2=CC=NC=C2)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C20H28N2O4/c1-5-12-22(18(24)17(23)20(3,4)6-2)13-9-15(16(22)19(25)26)14-7-10-21-11-8-14/h7-8,10-11,15-16H,5-6,9,12-13H2,1-4H3/p+1