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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-(1-piperidyl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumyl]-(1-piperidinyl)methanone; 2-hydroxy-2-oxoacetate IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: piperidino-(1-piperonylpiperidin-1-ium-3-yl)methanone binoxalate Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H26N2O3.C2H2O4/c22-19(21-9-2-1-3-10-21)16-5-4-8-20(13-16)12-15-6-7-17-18(11-15)24-14-23-17;3-1(4)2(5)6/h6-7,11,16H,1-5,8-10,12-14H2;(H,3,4)(H,5,6)