1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-methyl-4-(1-piperonyl-4-piperidyl)piperazin-1-ium binoxalate Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-15-2-3-17-18(12-15)23-14-22-17;3-1(4)2(5)6/h2-3,12,16H,4-11,13-14H2,1H3;(H,3,4)(H,5,6)