4-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C24H31N3O4S/c28-32(29,27-11-14-30-15-12-27)23-3-1-2-20(17-23)18-25-7-9-26(10-8-25)19-21-4-5-24-22(16-21)6-13-31-24/h1-5,16-17H,6-15,18-19H2/p+1