1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C20H24BrN2O4S+ MolecularWeight: 468.38456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H23BrN2O4S/c1-26-19-5-3-17(21)13-20(19)28(24,25)23-9-7-22(8-10-23)14-15-2-4-18-16(12-15)6-11-27-18/h2-5,12-13H,6-11,14H2,1H3/p+1