1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone; 2-hydroxy-2-oxoacetate Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone binoxalate Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=N5.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=N5.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H26N4O.C2H2O4/c30-25(19-27-15-17-28(18-16-27)24-11-5-6-14-26-24)29-22-9-3-1-7-20(22)12-13-21-8-2-4-10-23(21)29;3-1(4)2(5)6/h1-11,14H,12-13,15-19H2;(H,3,4)(H,5,6)