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

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-(phenylmethyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Openeye Name: (5E)-1-benzyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-(phenylmethyl)-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-2-pyrimidinolate IUPAC Name: (5E)-1-benzyl-4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Traditional Name: (5E)-1-benzyl-4,6-diketo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]pyrimidin-2-olate Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)CC2=CC=CC=C2)[O-])NCC[NH+]3CCCCC3

Isomeric SMILES

C/C(=C\1/C(=O)N=C(N(C1=O)CC2=CC=CC=C2)[O-])/NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O3/c1-15(21-10-13-23-11-6-3-7-12-23)17-18(25)22-20(27)24(19(17)26)14-16-8-4-2-5-9-16/h2,4-5,8-9,21H,3,6-7,10-14H2,1H3,(H,22,25,27)/b17-15+