2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H32N3O5S+ MolecularWeight: 414.53948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H31N3O5S/c1-6-19(2,3)20-18(23)14-21-9-11-22(12-10-21)28(24,25)15-7-8-16(26-4)17(13-15)27-5/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23)/p+1