1,3-benzodioxol-5-ylmethyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl]-methylazanium Traditional Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl-methyl-piperonyl-ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O4S/c1-5-10-26-19-8-7-17(31(27,28)24(2)3)12-18(19)23-22(26)14-25(4)13-16-6-9-20-21(11-16)30-15-29-20/h6-9,11-12H,5,10,13-15H2,1-4H3/p+1