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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN2O2/c1-16-6-7-19-18(13-22(26)27-21(19)12-16)15-25-10-8-24(9-11-25)14-17-4-2-3-5-20(17)23/h2-7,12-13H,8-11,14-15H2,1H3/p+1