1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H25N2O6S+ MolecularWeight: 421.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O6S/c1-25-16-4-6-18(26-2)20(12-16)29(23,24)22-9-7-21(8-10-22)13-15-3-5-17-19(11-15)28-14-27-17/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1