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

Systemtic Name: 1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C15H24BrN2O4S+ MolecularWeight: 408.33106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O4S/c1-4-5-17-6-8-18(9-7-17)23(19,20)15-11-14(22-3)13(21-2)10-12(15)16/h10-11H,4-9H2,1-3H3/p+1