2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(4-methylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(4-methylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolylmethoxy)pyran-4-one CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-[(4-methylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(4-methylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylbenzyl)oxy-pyran-4-one Formula: C24H26FN2O3+ MolecularWeight: 409.473243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN2O3/c1-18-2-4-19(5-3-18)16-30-24-17-29-22(14-23(24)28)15-26-10-12-27(13-11-26)21-8-6-20(25)7-9-21/h2-9,14,17H,10-13,15-16H2,1H3/p+1