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

Systemtic Name: N-prop-2-ynyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-prop-2-ynyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-prop-2-ynyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-prop-2-ynyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-propargyl-acetamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-5-6-19-17(22)13-20-7-9-21(10-8-20)25(23,24)18-15(3)11-14(2)12-16(18)4/h1,11-12H,6-10,13H2,2-4H3,(H,19,22)/p+1