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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-quinolin-3-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-3-(3-quinolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-3-(3-quinolinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-propyl-3-quinolin-3-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-3-(3-quinolyl)pyrrolidin-1-ium-2-carboxylate Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC3=CC=CC=C3N=C2)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)[O-])C2=CC3=CC=CC=C3N=C2)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C24H30N2O4/c1-5-12-26(22(28)21(27)24(3,4)6-2)13-11-18(20(26)23(29)30)17-14-16-9-7-8-10-19(16)25-15-17/h7-10,14-15,18,20H,5-6,11-13H2,1-4H3