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

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxychromen-2-one Traditional Name: 4-[[4-(4-fluorobenzyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-coumarin Formula: C22H24FN2O3+ MolecularWeight: 383.435963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O3/c1-27-19-6-7-21-20(13-19)17(12-22(26)28-21)15-25-10-8-24(9-11-25)14-16-2-4-18(23)5-3-16/h2-7,12-13H,8-11,14-15H2,1H3/p+1