2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[5-(diethylsulfamoyl)-2-pyridin-1-iumyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[5-(diethylsulfamoyl)pyridin-1-ium-2-yl]-methyl-amino]-N-mesityl-acetamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-7-25(8-2)29(27,28)18-9-10-19(22-13-18)24(6)14-20(26)23-21-16(4)11-15(3)12-17(21)5/h9-13H,7-8,14H2,1-6H3,(H,23,26)/p+1