1-(3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-4-oxidanyl-2-oxidanylidene-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(4-hydroxy-3,3-dimethyl-2-oxo-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(4-hydroxy-3,3-dimethyl-1,2-dioxobutyl)-3-phenyl-1-propyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(4-hydroxy-3,3-dimethyl-2-oxobutanoyl)-3-phenyl-1-propylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(4-hydroxy-2-keto-3,3-dimethyl-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-4-11-21(18(24)17(23)20(2,3)13-22)12-10-15(16(21)19(25)26)14-8-6-5-7-9-14/h5-9,15-16,22H,4,10-13H2,1-3H3