6-methyl-2-[3-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-[[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[3-[[4-hydroxy-4-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-[(4-hydroxy-4-pyridin-3-ylpiperidin-1-ium-1-yl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[4-hydroxy-4-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)(C4=CN=CC=C4)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)(C4=CN=CC=C4)O

InChI

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