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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]azanium Traditional Name: [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-methyl-piperonyl-ammonium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O5S/c1-22(11-15-4-7-17-18(10-15)27-13-26-17)12-19(23)21-9-8-14-2-5-16(6-3-14)28(20,24)25/h2-7,10H,8-9,11-13H2,1H3,(H,21,23)(H2,20,24,25)/p+1