N-(4-bromophenyl)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21BrN3O2S+ MolecularWeight: 423.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)C(=O)CC3=CC=CS3

InChI

InChI=1S/C18H20BrN3O2S/c19-14-3-5-15(6-4-14)20-17(23)13-21-7-9-22(10-8-21)18(24)12-16-2-1-11-25-16/h1-6,11H,7-10,12-13H2,(H,20,23)/p+1