(5E)-4,6-bis(oxidanylidene)-1-phenyl-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-phenyl-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate Openeye Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(1-piperidin-1-iumylamino)ethylidene]-2-pyrimidinolate IUPAC Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate Traditional Name: (5E)-4,6-diketo-1-phenyl-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])N[NH+]3CCCCC3

Isomeric SMILES

C/C(=C\1/C(=O)N=C(N(C1=O)C2=CC=CC=C2)[O-])/N[NH+]3CCCCC3

InChI

InChI=1S/C17H20N4O3/c1-12(19-20-10-6-3-7-11-20)14-15(22)18-17(24)21(16(14)23)13-8-4-2-5-9-13/h2,4-5,8-9,19H,3,6-7,10-11H2,1H3,(H,18,22,24)/b14-12+