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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-[(4-fluorophenyl)methoxy]-1-methyl-pyridin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(4-fluorophenyl)methoxy]-1-methyl-pyridin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-[(4-fluorophenyl)methoxy]-1-methyl-4-pyridinone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(4-fluorophenyl)methoxy]-1-methylpyridin-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-1-methyl-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C26H27FN3O5+ MolecularWeight: 480.508083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=C(C=C5)F

Isomeric SMILES

CN1C=C(C(=O)C=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN3O5/c1-28-15-25(33-16-18-2-5-20(27)6-3-18)22(31)13-21(28)26(32)30-10-8-29(9-11-30)14-19-4-7-23-24(12-19)35-17-34-23/h2-7,12-13,15H,8-11,14,16-17H2,1H3/p+1