1-(1,3-benzodioxol-5-ylmethyl)-4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H24BrN2O6S+ MolecularWeight: 500.38336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23BrN2O6S/c1-26-17-10-15(21)20(11-18(17)27-2)30(24,25)23-7-5-22(6-8-23)12-14-3-4-16-19(9-14)29-13-28-16/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1