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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloranyl-2,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2,5-dimethoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H24ClN2O6S+ MolecularWeight: 455.93236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23ClN2O6S/c1-26-17-11-20(19(27-2)10-15(17)21)30(24,25)23-7-5-22(6-8-23)12-14-3-4-16-18(9-14)29-13-28-16/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1