(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; (11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: 2-hydroxy-2-oxoacetate; (11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; (11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)-(4-methylpiperazin-4-ium-1-yl)methanone dibinoxalate Formula: C25H29N3O9 MolecularWeight: 515.51246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC3=CC=CC=C3[NH+](C4=CC=CC=C24)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CC3=CC=CC=C3[NH+](C4=CC=CC=C24)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H25N3O.2C2H2O4/c1-22-11-13-24(14-12-22)21(25)18-15-16-7-3-5-9-19(16)23(2)20-10-6-4-8-17(18)20;2*3-1(4)2(5)6/h3-10,18H,11-15H2,1-2H3;2*(H,3,4)(H,5,6)