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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(coumaran-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C20H22F3N2O3S+ MolecularWeight: 427.46049

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O3S/c21-20(22,23)17-2-4-18(5-3-17)29(26,27)25-10-8-24(9-11-25)14-15-1-6-19-16(13-15)7-12-28-19/h1-6,13H,7-12,14H2/p+1