2-[3-[[4,4-bis(fluoranyl)piperidin-1-ium-1-yl]methyl]phenyl]-5-butyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[4,4-bis(fluoranyl)piperidin-1-ium-1-yl]methyl]phenyl]-5-butyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-butyl-2-[3-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-2-[3-[(4,4-difluoro-1-piperidin-1-iumyl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-butyl-2-[3-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-butyl-2-[3-[(4,4-difluoropiperidin-1-ium-1-yl)methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H28F2N3O+ MolecularWeight: 376.463326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCC(CC3)(F)F)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+]3CCC(CC3)(F)F)C

InChI

InChI=1S/C21H27F2N3O/c1-3-4-8-18-15(2)24-19(25-20(18)27)17-7-5-6-16(13-17)14-26-11-9-21(22,23)10-12-26/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,24,25,27)/p+1