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

Systemtic Name: 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium Traditional Name: 1-methyl-4-(1-p-anisyl-4-piperidyl)piperazin-1-ium binoxalate Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O.C2H2O4/c1-19-11-13-21(14-12-19)17-7-9-20(10-8-17)15-16-3-5-18(22-2)6-4-16;3-1(4)2(5)6/h3-6,17H,7-15H2,1-2H3;(H,3,4)(H,5,6)