1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20BrN2O4S+ MolecularWeight: 380.2779

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br

InChI

InChI=1S/C13H19BrN2O4S/c1-15-4-6-16(7-5-15)21(17,18)13-9-12(20-3)11(19-2)8-10(13)14/h8-9H,4-7H2,1-3H3/p+1