1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(coumaran-5-ylmethyl)-4-(3,4-difluorophenyl)sulfonyl-piperazin-1-ium Formula: C19H21F2N2O3S+ MolecularWeight: 395.443446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C19H20F2N2O3S/c20-17-3-2-16(12-18(17)21)27(24,25)23-8-6-22(7-9-23)13-14-1-4-19-15(11-14)5-10-26-19/h1-4,11-12H,5-10,13H2/p+1