2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(4-fluorophenyl)methoxy]-1H-pyridin-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C25H25FN3O5+ MolecularWeight: 466.481503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=O)C(=CN4)OCC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=O)C(=CN4)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H24FN3O5/c26-19-4-1-17(2-5-19)15-32-24-13-27-20(12-21(24)30)25(31)29-9-7-28(8-10-29)14-18-3-6-22-23(11-18)34-16-33-22/h1-6,11-13H,7-10,14-16H2,(H,27,30)/p+1