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

Systemtic Name: 2-[4-[[(3S)-3-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-5-fluoranyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(3S)-3-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[[(3S)-3-(dimethylamino)-1-piperidin-1-iumyl]methyl]phenyl]-5-fluoro-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(3S)-3-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(3S)-3-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-5-fluoro-6-methyl-1H-pyrimidin-4-one Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCCC(C3)N(C)C)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC[C@@H](C3)N(C)C)F

InChI

InChI=1S/C19H25FN4O/c1-13-17(20)19(25)22-18(21-13)15-8-6-14(7-9-15)11-24-10-4-5-16(12-24)23(2)3/h6-9,16H,4-5,10-12H2,1-3H3,(H,21,22,25)/p+1/t16-/m0/s1