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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxidanylidenepropoxy)pyran-4-one Openeye Name: 5-acetonyloxy-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-(2-oxopropoxy)-4-pyranone IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one Traditional Name: 5-acetonyloxy-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C19H22FN2O4+ MolecularWeight: 361.387383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O4/c1-14(23)12-26-19-13-25-17(10-18(19)24)11-21-6-8-22(9-7-21)16-4-2-15(20)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3/p+1