1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(2,5-dimethoxybenzyl)-4-piperidyl]-4-methyl-piperazin-4-ium binoxalate Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H31N3O2.C2H2O4/c1-20-10-12-22(13-11-20)17-6-8-21(9-7-17)15-16-14-18(23-2)4-5-19(16)24-3;3-1(4)2(5)6/h4-5,14,17H,6-13,15H2,1-3H3;(H,3,4)(H,5,6)