11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline CAS Name: 2-hydroxy-2-oxoacetate; 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline IUPAC Name: 2-hydroxy-2-oxoacetate; 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline Traditional Name: 11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline dibinoxalate Formula: C24H31N3O8 MolecularWeight: 489.51824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)C2=C3CCCCCC3=NC4=CC=CC=C42.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)C2=C3CCCCCC3=NC4=CC=CC=C42.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H27N3.2C2H2O4/c1-22-12-7-13-23(15-14-22)20-16-8-3-2-4-10-18(16)21-19-11-6-5-9-17(19)20;2*3-1(4)2(5)6/h5-6,9,11H,2-4,7-8,10,12-15H2,1H3;2*(H,3,4)(H,5,6)