4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethyl-morpholin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethyl-morpholin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidyl]-2,6-dimethyl-morpholin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidinyl]-2,6-dimethylmorpholin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 2,6-dimethyl-4-(1-veratryl-4-piperidyl)morpholin-4-ium binoxalate Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2CCN(CC2)CC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C[NH+](CC(O1)C)C2CCN(CC2)CC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H32N2O3.C2H2O4/c1-15-12-22(13-16(2)25-15)18-7-9-21(10-8-18)14-17-5-6-19(23-3)20(11-17)24-4;3-1(4)2(5)6/h5-6,11,15-16,18H,7-10,12-14H2,1-4H3;(H,3,4)(H,5,6)