1-(2-methoxyphenyl)-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(2-methoxyphenyl)-4-[1-[(3-phenoxyphenyl)methyl]-4-piperidyl]piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-methoxyphenyl)-4-[1-[(3-phenoxyphenyl)methyl]-4-piperidinyl]piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(2-methoxyphenyl)-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[1-(3-phenoxybenzyl)-4-piperidyl]piperazin-4-ium binoxalate Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCN(CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H35N3O2.C2H2O4/c1-33-29-13-6-5-12-28(29)32-20-18-31(19-21-32)25-14-16-30(17-15-25)23-24-8-7-11-27(22-24)34-26-9-3-2-4-10-26;3-1(4)2(5)6/h2-13,22,25H,14-21,23H2,1H3;(H,3,4)(H,5,6)