2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(3-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C19H25N3O5S/c1-22(10-9-14-7-8-17(26-2)18(11-14)27-3)13-19(23)21-15-5-4-6-16(12-15)28(20,24)25/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,23)(H2,20,24,25)/p+1