4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H23FN2O2/c1-15-11-16(2)22-17(13-21(26)27-20(22)12-15)14-24-7-9-25(10-8-24)19-5-3-18(23)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3/p+1