6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-ethyl-4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C22H23FN2O3/c1-2-15-11-19-16(12-22(27)28-21(19)13-20(15)26)14-24-7-9-25(10-8-24)18-5-3-17(23)4-6-18/h3-6,11-13,26H,2,7-10,14H2,1H3