6-(oxan-4-yl)-2-[2-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(oxan-4-yl)-2-[2-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[2-(piperazin-4-ium-1-ylmethyl)phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one CAS Name: 6-(4-oxanyl)-2-[2-(1-piperazin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(oxan-4-yl)-2-[2-(piperazin-4-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(piperazin-4-ium-1-ylmethyl)phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC(=O)N=C(N2)C3=CC=CC=C3CN4CC[NH2+]CC4

Isomeric SMILES

C1COCCC1C2=CC(=O)N=C(N2)C3=CC=CC=C3CN4CC[NH2+]CC4

InChI

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