1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidyl]piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidinyl]piperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-ethyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-ethyl-4-[1-(3,4,5-trimethoxybenzyl)-4-piperidyl]piperazin-1-ium binoxalate Formula: C23H37N3O7 MolecularWeight: 467.55578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3.C2H2O4/c1-5-22-10-12-24(13-11-22)18-6-8-23(9-7-18)16-17-14-19(25-2)21(27-4)20(15-17)26-3;3-1(4)2(5)6/h14-15,18H,5-13,16H2,1-4H3;(H,3,4)(H,5,6)