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

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C20H21ClF3N2O3S+ MolecularWeight: 461.90555

Click to see the large picture

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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N2O3S/c21-16-2-4-19(17(12-16)20(22,23)24)30(27,28)26-8-6-25(7-9-26)13-14-1-3-18-15(11-14)5-10-29-18/h1-4,11-12H,5-10,13H2/p+1