(5E)-4,6-bis(oxidanylidene)-1-phenyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-phenyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Openeye Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(3-pyridin-1-iumylmethylamino)propylidene]-2-pyrimidinolate IUPAC Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Traditional Name: (5E)-4,6-diketo-1-phenyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])NCC3=C[NH+]=CC=C3

Isomeric SMILES

CC/C(=C\1/C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])/NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-2-15(21-12-13-7-6-10-20-11-13)16-17(24)22-19(26)23(18(16)25)14-8-4-3-5-9-14/h3-11,21H,2,12H2,1H3,(H,22,24,26)/b16-15+