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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-quinolin-4-yl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-3-(4-quinolyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-3-(4-quinolinyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-propyl-3-quinolin-4-ylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-3-(4-quinolyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C24H31N2O4+ MolecularWeight: 411.51394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)O)C2=CC=NC3=CC=CC=C23)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)O)C2=CC=NC3=CC=CC=C23)C(=O)C(=O)C(C)(C)CC

InChI

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