5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-1H-pyridin-2-one

Systemtic Name: 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-1H-pyridin-2-one Openeye Name: 5-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-2-pyridone Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CNC(=O)C=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CNC(=O)C=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O2/c19-16-5-2-14(3-6-16)13-21-8-1-9-22(11-10-21)18(24)15-4-7-17(23)20-12-15/h2-7,12H,1,8-11,13H2,(H,20,23)/p+1