1,3-benzodioxol-5-ylmethyl-methyl-[3-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[3-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]azanium Traditional Name: [3-keto-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]-methyl-piperonyl-ammonium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O5S/c1-23(13-16-4-7-18-19(12-16)28-14-27-18)11-9-20(24)22-10-8-15-2-5-17(6-3-15)29(21,25)26/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)(H2,21,25,26)/p+1