1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-(9H-fluoren-9-yl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-(9H-fluoren-9-yl)piperazin-4-ium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-(9H-fluoren-9-yl)piperazin-4-ium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-(9H-fluoren-9-yl)piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-(9H-fluoren-9-yl)piperazin-4-ium Traditional Name: 1-coumaran-5-ylsulfonyl-4-(9H-fluoren-9-yl)piperazin-4-ium Formula: C25H25N2O3S+ MolecularWeight: 433.5426

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1COC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C25H24N2O3S/c28-31(29,19-9-10-24-18(17-19)11-16-30-24)27-14-12-26(13-15-27)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-10,17,25H,11-16H2/p+1