1-butyl-4,6-bis(oxidanylidene)-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]pyrimidin-2-olate

Systemtic Name: 1-butyl-4,6-bis(oxidanylidene)-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]pyrimidin-2-olate Openeye Name: 1-butyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]pyrimidin-2-olate CAS Name: 1-butyl-4,6-dioxo-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]propylidene]-2-pyrimidinolate IUPAC Name: 1-butyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]pyrimidin-2-olate Traditional Name: 1-butyl-4,6-diketo-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]pyrimidin-2-olate Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(CC)NCC[NH+]2CCCCC2)C(=O)N=C1[O-]

Isomeric SMILES

CCCCN1C(=O)C(=C(CC)NCC[NH+]2CCCCC2)C(=O)N=C1[O-]

InChI

InChI=1S/C18H30N4O3/c1-3-5-12-22-17(24)15(16(23)20-18(22)25)14(4-2)19-9-13-21-10-7-6-8-11-21/h19H,3-13H2,1-2H3,(H,20,23,25)