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

Systemtic Name: 2-[2-[[(3S)-3-(4-fluoranylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[(3S)-3-(4-fluorophenoxy)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-[[(3S)-3-(4-fluorophenoxy)-1-piperidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[(3S)-3-(4-fluorophenoxy)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[(3S)-3-(4-fluorophenoxy)piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H25FN3O2+ MolecularWeight: 394.461903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCC(C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCC[C@@H](C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O2/c1-16-13-22(28)26-23(25-16)21-7-3-2-5-17(21)14-27-12-4-6-20(15-27)29-19-10-8-18(24)9-11-19/h2-3,5,7-11,13,20H,4,6,12,14-15H2,1H3,(H,25,26,28)/p+1/t20-/m0/s1