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

Systemtic Name: 3-(1-oxidanidylpyridin-1-ium-3-yl)propyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: 3-(1-oxidopyridin-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-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(1-oxidopyridin-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-oxidopyridin-1-ium-3-yl)propyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)27-13-7-9-15-8-5-11-21(26)14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3