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

Systemtic Name: 6,7-dimethoxy-3-[oxidanyl-(3-piperidin-1-ium-1-ylpropylamino)methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(3-piperidin-1-ium-1-ylpropylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[3-(1-piperidin-1-iumyl)propylamino]methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(3-piperidin-1-ium-1-ylpropylamino)methylidene]-6,7-dimethoxy-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(3-piperidin-1-ium-1-ylpropylamino)methylene]-6,7-dimethoxy-1H-quinoline-2,4-quinone Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23/h11-12,21,25H,3-10H2,1-2H3,(H,22,26)/p+1