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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-1-propyl-3-pyridin-3-yl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-1-propyl-3-(3-pyridinyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)-1-propyl-3-pyridin-3-ylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)-1-propyl-3-(3-pyridyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-5-10-21(17(23)16(22)19(2,3)4)11-8-14(15(21)18(24)25)13-7-6-9-20-12-13/h6-7,9,12,14-15H,5,8,10-11H2,1-4H3/p+1