2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-keto-2-(methylamino)ethyl]-N-methyl-acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NC

InChI

InChI=1S/C18H28N4O4S/c1-14-5-6-15(2)16(11-14)27(25,26)22-9-7-21(8-10-22)13-18(24)20(4)12-17(23)19-3/h5-6,11H,7-10,12-13H2,1-4H3,(H,19,23)/p+1