methyl-(oxan-4-yl)-[[3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: methyl-(oxan-4-yl)-[[3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: methyl-[[3-[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]-tetrahydropyran-4-yl-ammonium CAS Name: methyl-(4-oxanyl)-[[3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: methyl-(oxan-4-yl)-[[3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [3-[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-tetrahydropyran-4-yl-ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3)C4CCOCC4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3)C4CCOCC4

InChI

InChI=1S/C22H24N4O2/c1-26(19-7-11-28-12-8-19)15-16-3-2-4-18(13-16)22-24-20(14-21(27)25-22)17-5-9-23-10-6-17/h2-6,9-10,13-14,19H,7-8,11-12,15H2,1H3,(H,24,25,27)/p+1