2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S/c1-4-5-6-9-20-19(23)15-21-10-12-22(13-11-21)26(24,25)18-14-16(2)7-8-17(18)3/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,20,23)/p+1