3-(1-oxidanidylquinolin-1-ium-4-yl)propyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-(1-oxidanidylquinolin-1-ium-4-yl)propyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(1-oxidoquinolin-1-ium-4-yl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid 3-(1-oxido-4-quinolin-1-iumyl)propyl ester IUPAC Name: 3-(1-oxidoquinolin-1-ium-4-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid 3-(1-oxidoquinolin-1-ium-4-yl)propyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC=[N+](C3=CC=CC=C23)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC=[N+](C3=CC=CC=C23)[O-]

InChI

InChI=1S/C24H30N2O5/c1-4-24(2,3)21(27)22(28)25-14-7-12-20(25)23(29)31-16-8-9-17-13-15-26(30)19-11-6-5-10-18(17)19/h5-6,10-11,13,15,20H,4,7-9,12,14,16H2,1-3H3