6,7-dimethoxy-3-[oxidanyl-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione

Systemtic Name: 6,7-dimethoxy-3-[oxidanyl-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[2-(1-piperazine-1,4-diiumyl)ethylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone Formula: C18H26N4O5+2 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CC[NH2+]CC3)O)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CC[NH2+]CC3)O)C(=O)N2)OC

InChI

InChI=1S/C18H24N4O5/c1-26-13-9-11-12(10-14(13)27-2)21-18(25)15(16(11)23)17(24)20-5-8-22-6-3-19-4-7-22/h9-10,19-20,24H,3-8H2,1-2H3,(H,21,25)/p+2