2-[(2R)-4-(phenylmethyl)morpholin-2-yl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2R)-4-(phenylmethyl)morpholin-2-yl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[(2R)-4-benzylmorpholin-2-yl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-[(2R)-4-(phenylmethyl)-2-morpholinyl]-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2R)-4-benzylmorpholin-2-yl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[(2R)-4-benzylmorpholin-2-yl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3CN(CCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)[C@H]3CN(CCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O2/c25-19-12-17(16-6-8-21-9-7-16)22-20(23-19)18-14-24(10-11-26-18)13-15-4-2-1-3-5-15/h1-5,12,16,18,21H,6-11,13-14H2,(H,22,23,25)/p+1/t18-/m1/s1