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

Systemtic Name: 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]-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[2-(1-piperazine-1,4-diiumyl)ethylamino]methylidene]-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylene]-1H-quinoline-2,4-quinone Formula: C16H22N4O3+2 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCNC(=C2C(=O)C3=CC=CC=C3NC2=O)O

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCNC(=C2C(=O)C3=CC=CC=C3NC2=O)O

InChI

InChI=1S/C16H20N4O3/c21-14-11-3-1-2-4-12(11)19-16(23)13(14)15(22)18-7-10-20-8-5-17-6-9-20/h1-4,17-18,22H,5-10H2,(H,19,23)/p+2