N-(2-cyanopropan-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S/c1-15-6-7-17(16(2)12-15)27(25,26)23-10-8-22(9-11-23)13-18(24)21(5)19(3,4)14-20/h6-7,12H,8-11,13H2,1-5H3/p+1