2-oxidanyl-2-oxidanylidene-ethanoate; [4-(phenylmethyl)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; [4-(phenylmethyl)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; [4-(phenylmethyl)-1-piperidinyl]-[1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: (4-benzylpiperidino)-[1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H31N3O.C2H2O4/c28-24(22-9-6-14-26(18-22)19-23-10-4-5-13-25-23)27-15-11-21(12-16-27)17-20-7-2-1-3-8-20;3-1(4)2(5)6/h1-5,7-8,10,13,21-22H,6,9,11-12,14-19H2;(H,3,4)(H,5,6)