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

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]pyrimidin-2-olate Openeye Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-phenyl-5-[1-[3-(1-piperidin-1-iumyl)propylamino]propylidene]-2-pyrimidinolate IUPAC Name: (5E)-4,6-dioxo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]pyrimidin-2-olate Traditional Name: (5E)-4,6-diketo-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]pyrimidin-2-olate Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-2-17(22-12-9-15-24-13-7-4-8-14-24)18-19(26)23-21(28)25(20(18)27)16-10-5-3-6-11-16/h3,5-6,10-11,22H,2,4,7-9,12-15H2,1H3,(H,23,26,28)/b18-17+