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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-3-phenyl-1-propyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)-3-phenyl-1-propylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)-3-phenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Formula: C20H27NO4 MolecularWeight: 345.43268

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-5-12-21(18(23)17(22)20(2,3)4)13-11-15(16(21)19(24)25)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3