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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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