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

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; [1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-(1-piperidyl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; [1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: [1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: [1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-piperidino-methanone binoxalate Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H35N3O.C2H2O4/c27-23(25-13-5-2-6-14-25)21-10-7-15-26(19-21)22-11-16-24(17-12-22)18-20-8-3-1-4-9-20;3-1(4)2(5)6/h1,3-4,8-9,21-22H,2,5-7,10-19H2;(H,3,4)(H,5,6)