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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC1(C2=CN=CC=C2)C(=O)[O-])C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCCC1(C2=CN=CC=C2)C(=O)[O-])C(=O)C(=O)C(C)(C)CC

InChI

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