1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-propyl-3-(3,4,5-trimethoxyphenyl)piperidin-1-ium-2-carboxylate Formula: C25H37NO7 MolecularWeight: 463.56378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO7/c1-8-12-26(23(28)22(27)25(3,4)9-2)13-10-11-17(20(26)24(29)30)16-14-18(31-5)21(33-7)19(15-16)32-6/h14-15,17,20H,8-13H2,1-7H3