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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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