1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-allyl-1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-allyl-1-(2-keto-3,3-dimethyl-pentanoyl)-3-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylate Formula: C24H33NO7 MolecularWeight: 447.52132

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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)OC)OC)OC)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO7/c1-8-11-25(22(27)21(26)24(3,4)9-2)12-10-16(19(25)23(28)29)15-13-17(30-5)20(32-7)18(14-15)31-6/h8,13-14,16,19H,1,9-12H2,2-7H3