6-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[2-(2-furyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[2-(2-furanyl)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[[2-(2-furyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=C(N=C3)C4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=C(N=C3)C4=CC=CO4

InChI

InChI=1S/C18H19N5O2/c24-17-8-15(21-12-22-17)14-3-5-23(6-4-14)11-13-9-19-18(20-10-13)16-2-1-7-25-16/h1-2,7-10,12,14H,3-6,11H2,(H,21,22,24)/p+1