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

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethyl-1-piperazin-4-iumyl)ethanone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanone; 2-hydroxy-2-oxoacetate Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanone binoxalate Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H27N3O.C2H2O4/c1-2-23-13-15-24(16-14-23)17-22(26)25-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)25;3-1(4)2(5)6/h3-10H,2,11-17H2,1H3;(H,3,4)(H,5,6)