3-[oxidanyl-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione

Systemtic Name: 3-[oxidanyl-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-[2-(1-piperazine-1,4-diiumyl)ethylamino]methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(2-piperazine-1,4-diium-1-ylethylamino)methylene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-quinone Formula: C16H26N4O3+2 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C(=C(NCC[NH+]3CC[NH2+]CC3)O)C(=O)N2

Isomeric SMILES

C1CCC2=C(C1)C(=O)C(=C(NCC[NH+]3CC[NH2+]CC3)O)C(=O)N2

InChI

InChI=1S/C16H24N4O3/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/h17-18,22H,1-10H2,(H,19,23)/p+2