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

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C19H21ClFN2O3S+ MolecularWeight: 411.898043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O3S/c20-16-2-4-19(17(21)12-16)27(24,25)23-8-6-22(7-9-23)13-14-1-3-18-15(11-14)5-10-26-18/h1-4,11-12H,5-10,13H2/p+1