[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]-1-piperidyl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C22H21FN4O2 MolecularWeight: 392.426143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2/c1-15-24-12-20(16-6-8-19(23)9-7-16)21(25-15)17-4-2-10-26(13-17)22(28)18-5-3-11-27(29)14-18/h3,5-9,11-12,14,17H,2,4,10,13H2,1H3