4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H22FN2O3+ MolecularWeight: 369.409383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F)O

InChI

InChI=1S/C21H21FN2O3/c1-14-19(25)7-6-16-15(12-20(26)27-21(14)16)13-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22/h2-7,12,25H,8-11,13H2,1H3/p+1