2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C19H30N4O4S/c1-4-7-20-18(24)13-21-19(25)14-22-8-10-23(11-9-22)28(26,27)17-6-5-15(2)12-16(17)3/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,20,24)(H,21,25)/p+1