N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-[(4-bromophenyl)thio]ethyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(4-bromophenyl)thio]ethyl]acetamide Formula: C16H23BrN3O2S+ MolecularWeight: 401.34172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrN3O2S/c1-13(21)20-9-7-19(8-10-20)12-16(22)18-6-11-23-15-4-2-14(17)3-5-15/h2-5H,6-12H2,1H3,(H,18,22)/p+1