2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexylacetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-hexyl-acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H33N3O3S/c1-4-5-6-7-10-21-20(24)16-22-11-13-23(14-12-22)27(25,26)19-9-8-17(2)18(3)15-19/h8-9,15H,4-7,10-14,16H2,1-3H3,(H,21,24)/p+1