3-[oxidanyl-(pyridin-1-ium-3-ylmethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione

Systemtic Name: 3-[oxidanyl-(pyridin-1-ium-3-ylmethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione Openeye Name: 3-[hydroxy-(pyridin-1-ium-3-ylmethylamino)methylene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione CAS Name: 3-[hydroxy-(3-pyridin-1-iumylmethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione IUPAC Name: 3-[hydroxy-(pyridin-1-ium-3-ylmethylamino)methylidene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-dione Traditional Name: 3-[hydroxy-(pyridin-1-ium-3-ylmethylamino)methylene]-5,6,7,8-tetrahydro-1H-quinoline-2,4-quinone Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)C(=C(NCC3=C[NH+]=CC=C3)O)C(=O)N2

Isomeric SMILES

C1CCC2=C(C1)C(=O)C(=C(NCC3=C[NH+]=CC=C3)O)C(=O)N2

InChI

InChI=1S/C16H17N3O3/c20-14-11-5-1-2-6-12(11)19-16(22)13(14)15(21)18-9-10-4-3-7-17-8-10/h3-4,7-8,18,21H,1-2,5-6,9H2,(H,19,22)/p+1