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

Systemtic Name: 3-(1-oxidanidylquinolin-1-ium-3-yl)propyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(1-oxidoquinolin-1-ium-3-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-3-quinolin-1-iumyl)propyl ester IUPAC Name: 3-(1-oxidoquinolin-1-ium-3-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-3-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=CC3=CC=CC=C3[N+](=C2)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC3=CC=CC=C3[N+](=C2)[O-]

InChI

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