3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-allyl-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-1,2-dioxopentyl)-1-prop-2-enyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxopentanoyl)-1-prop-2-enylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-allyl-3-(3,4-dichlorophenyl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidin-1-ium-2-carboxylate Formula: C21H25Cl2NO4 MolecularWeight: 426.3335

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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(=C(C=C2)Cl)Cl)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2NO4/c1-5-10-24(19(26)18(25)21(3,4)6-2)11-9-14(17(24)20(27)28)13-7-8-15(22)16(23)12-13/h5,7-8,12,14,17H,1,6,9-11H2,2-4H3