1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-pyridin-2-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-pyridin-2-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-3-(2-pyridyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-3-(2-pyridinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-propyl-3-pyridin-2-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-3-(2-pyridyl)pyrrolidin-1-ium-2-carboxylate Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC=CC=N2)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC=CC=N2)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)13-10-14(16(22)19(25)26)15-9-7-8-11-21-15/h7-9,11,14,16H,5-6,10,12-13H2,1-4H3