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

Systemtic Name: 2-[4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperazin-4-ium-1-yl]ethanol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[4-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-hydroxy-2-oxoacetate; 2-[4-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(1-m-anisyl-4-piperidyl)piperazin-4-ium-1-yl]ethanol binoxalate Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)[NH+]3CCN(CC3)CCO.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)[NH+]3CCN(CC3)CCO.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H31N3O2.C2H2O4/c1-24-19-4-2-3-17(15-19)16-21-7-5-18(6-8-21)22-11-9-20(10-12-22)13-14-23;3-1(4)2(5)6/h2-4,15,18,23H,5-14,16H2,1H3;(H,3,4)(H,5,6)