6-(oxan-4-yl)-2-[3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(oxan-4-yl)-2-[3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one CAS Name: 6-(4-oxanyl)-2-[3-[(3-oxo-1-piperazin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(oxan-4-yl)-2-[3-[(3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 2-[3-[(3-ketopiperazin-1-ium-1-yl)methyl]phenyl]-6-tetrahydropyran-4-yl-1H-pyrimidin-4-one Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCNC(=O)C4

Isomeric SMILES

C1COCCC1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C20H24N4O3/c25-18-11-17(15-4-8-27-9-5-15)22-20(23-18)16-3-1-2-14(10-16)12-24-7-6-21-19(26)13-24/h1-3,10-11,15H,4-9,12-13H2,(H,21,26)(H,22,23,25)/p+1