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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-3,3-diphenyl-1-propyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)-3,3-diphenyl-1-propylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)-3,3-diphenyl-1-propyl-pyrrolidin-1-ium-2-carboxylate Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1C(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C(C)(C)C

Isomeric SMILES

CCC[N+]1(CCC(C1C(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C26H31NO4/c1-5-17-27(23(29)22(28)25(2,3)4)18-16-26(21(27)24(30)31,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,5,16-18H2,1-4H3