2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one ethanoate

Systemtic Name: 2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one ethanoate Openeye Name: 2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one acetate CAS Name: 2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-4-piperidin-1-iumone acetate IUPAC Name: 2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one acetate Traditional Name: 2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one acetate Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1=O)C)C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=C3)OC)OC.CC(=O)[O-]

Isomeric SMILES

CC1C([NH2+]C(C(C1=O)C)C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=C3)OC)OC.CC(=O)[O-]

InChI

InChI=1S/C23H29NO5.C2H4O2/c1-13-21(17-9-7-15(26-3)11-19(17)28-5)24-22(14(2)23(13)25)18-10-8-16(27-4)12-20(18)29-6;1-2(3)4/h7-14,21-22,24H,1-6H3;1H3,(H,3,4)