1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-ethyl-2-(3,4,5-trimethoxyphenyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-ethyl-1-(2-keto-3,3-dimethyl-pentanoyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C23H34NO7+ MolecularWeight: 436.51856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)[N+]1(CCCC1(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)CC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)[N+]1(CCCC1(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O)CC

InChI

InChI=1S/C23H33NO7/c1-8-22(3,4)19(25)20(26)24(9-2)12-10-11-23(24,21(27)28)15-13-16(29-5)18(31-7)17(14-15)30-6/h13-14H,8-12H2,1-7H3/p+1