5-[(4-fluorophenyl)methoxy]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridin-4-one

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyridin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-(4-fluorobenzyl)oxy-4-pyridone Formula: C24H25FN3O3+ MolecularWeight: 422.472003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C(=CN3)OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=O)C(=CN3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3/c25-20-8-6-19(7-9-20)17-31-23-15-26-21(14-22(23)29)24(30)28-12-10-27(11-13-28)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,26,29)/p+1