N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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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)C(C)(C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-15-11-16(2)19(17(3)12-15)28(26,27)24-9-7-23(8-10-24)13-18(25)22(6)20(4,5)14-21/h11-12H,7-10,13H2,1-6H3/p+1