N-(3-bromophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H18BrN3O2S/c18-13-3-1-4-14(11-13)19-16(22)12-20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1-5,10-11H,6-9,12H2,(H,19,22)/p+1