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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-(coumaran-5-ylmethyl)piperazin-4-ium Formula: C20H24BrN2O3S+ MolecularWeight: 452.38516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-15-2-4-18(21)13-20(15)27(24,25)23-9-7-22(8-10-23)14-16-3-5-19-17(12-16)6-11-26-19/h2-5,12-13H,6-11,14H2,1H3/p+1