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

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-[[4-(4-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=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F

InChI

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