N-(propylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(propylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(propylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(propylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(propylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2C)C)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2C)C)C)C

InChI

InChI=1S/C20H32N4O4S/c1-6-7-21-20(26)22-18(25)13-23-8-10-24(11-9-23)29(27,28)19-16(4)14(2)12-15(3)17(19)5/h12H,6-11,13H2,1-5H3,(H2,21,22,25,26)/p+1