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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-prop-2-enyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-allyl-3-(2,5-dimethoxyphenyl)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-1-(3,3-dimethyl-1,2-dioxopentyl)-1-prop-2-enyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-(3,3-dimethyl-2-oxopentanoyl)-1-prop-2-enylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-allyl-3-(2,5-dimethoxyphenyl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidin-1-ium-2-carboxylate Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-7-12-24(21(26)20(25)23(3,4)8-2)13-11-16(19(24)22(27)28)17-14-15(29-5)9-10-18(17)30-6/h7,9-10,14,16,19H,1,8,11-13H2,2-6H3