6-[(3-fluorophenyl)methyl]-2-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3-fluorophenyl)methyl]-2-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3-fluorophenyl)methyl]-2-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(3-fluorophenyl)methyl]-2-[3-(1-piperidin-1-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-fluorobenzyl)-2-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H25FN3O+ MolecularWeight: 378.462503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN3O/c24-20-9-5-6-17(13-20)14-21-15-22(28)26-23(25-21)19-8-4-7-18(12-19)16-27-10-2-1-3-11-27/h4-9,12-13,15H,1-3,10-11,14,16H2,(H,25,26,28)/p+1