1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-tosyl-piperazin-1-ium Formula: C20H24BrN2O4S+ MolecularWeight: 468.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

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