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

Systemtic Name: 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-[(2-methoxyphenyl)methyl]-4-piperidyl]-4-phenyl-piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(2-methoxyphenyl)methyl]-4-piperidinyl]-4-phenylpiperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-(1-o-anisyl-4-piperidyl)-4-phenyl-piperazin-1-ium binoxalate Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC=C1CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H31N3O.C2H2O4/c1-27-23-10-6-5-7-20(23)19-24-13-11-22(12-14-24)26-17-15-25(16-18-26)21-8-3-2-4-9-21;3-1(4)2(5)6/h2-10,22H,11-19H2,1H3;(H,3,4)(H,5,6)