1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-phenyl-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-phenyl-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-allyl-1-(3,3-dimethyl-2-oxo-pentanoyl)-3-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-phenyl-1-prop-2-enyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-phenyl-1-prop-2-enylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-allyl-1-(2-keto-3,3-dimethyl-pentanoyl)-3-phenyl-pyrrolidin-1-ium-2-carboxylate Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-5-13-22(19(24)18(23)21(3,4)6-2)14-12-16(17(22)20(25)26)15-10-8-7-9-11-15/h5,7-11,16-17H,1,6,12-14H2,2-4H3