1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)-4-piperidyl]-4-methyl-piperazin-4-ium binoxalate Formula: C27H37N3O6 MolecularWeight: 499.59918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H35N3O2.C2H2O4/c1-26-14-16-28(17-15-26)23-10-12-27(13-11-23)19-22-8-9-24(25(18-22)29-2)30-20-21-6-4-3-5-7-21;3-1(4)2(5)6/h3-9,18,23H,10-17,19-20H2,1-2H3;(H,3,4)(H,5,6)