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

Systemtic Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(3-fluorobenzyl)-2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H25FN4O/c1-27-8-10-28(11-9-27)16-18-5-2-6-19(12-18)23-25-21(15-22(29)26-23)14-17-4-3-7-20(24)13-17/h2-7,12-13,15H,8-11,14,16H2,1H3,(H,25,26,29)/p+1