2-(4-phenyloxan-4-yl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-(4-phenyloxan-4-yl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-(4-phenyltetrahydropyran-4-yl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-(4-phenyl-4-oxanyl)-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-phenyloxan-4-yl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-(4-phenyltetrahydropyran-4-yl)-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3(CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3(CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N3O2/c24-18-14-17(15-6-10-21-11-7-15)22-19(23-18)20(8-12-25-13-9-20)16-4-2-1-3-5-16/h1-5,14-15,21H,6-13H2,(H,22,23,24)/p+1