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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(mesylmethyl)phenyl]methanone Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O4S/c1-29(26,27)16-17-2-5-19(6-3-17)22(25)24-11-9-23(10-12-24)15-18-4-7-21-20(14-18)8-13-28-21/h2-7,14H,8-13,15-16H2,1H3/p+1