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

Systemtic Name: 5-[(2-fluorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-fluorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-fluorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 5-[(2-fluorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-fluorobenzyl)oxy-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C24H26FN2O4+ MolecularWeight: 425.472643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4F

InChI

InChI=1S/C24H25FN2O4/c1-29-23-9-5-4-8-21(23)27-12-10-26(11-13-27)15-19-14-22(28)24(17-30-19)31-16-18-6-2-3-7-20(18)25/h2-9,14,17H,10-13,15-16H2,1H3/p+1