3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromone Formula: C21H22FN2O2+ MolecularWeight: 353.409983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN2O2/c1-15-6-7-20-17(12-15)21(25)16(14-26-20)13-23-8-10-24(11-9-23)19-5-3-2-4-18(19)22/h2-7,12,14H,8-11,13H2,1H3/p+1