N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]acetamide Formula: C14H18BrN4O+ MolecularWeight: 338.22292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)CC#N

InChI

InChI=1S/C14H17BrN4O/c15-12-2-1-3-13(10-12)17-14(20)11-19-8-6-18(5-4-16)7-9-19/h1-3,10H,5-9,11H2,(H,17,20)/p+1