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

Systemtic Name: 6-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

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