4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-[(2,6-difluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-coumarin Formula: C23H23F2N2O4+ MolecularWeight: 429.436526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C23H22F2N2O4/c1-2-30-16-6-7-20-17(13-16)15(12-21(28)31-20)14-26-8-10-27(11-9-26)23(29)22-18(24)4-3-5-19(22)25/h3-7,12-13H,2,8-11,14H2,1H3/p+1