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

Systemtic Name: 6,7-dimethoxy-3-[oxidanyl-(2-piperidin-1-ium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(2-piperidin-1-ium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(2-piperidin-1-ium-1-ylethylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(2-piperidin-1-ium-1-ylethylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CCCCC3)O)C(=O)N2)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=C(NCC[NH+]3CCCCC3)O)C(=O)N2)OC

InChI

InChI=1S/C19H25N3O5/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-6-9-22-7-4-3-5-8-22/h10-11,20,24H,3-9H2,1-2H3,(H,21,25)/p+1