N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C14H19BrN4O+2 MolecularWeight: 339.23086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#N)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#N)CC(=O)NC2=CC(=CC=C2)Br

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+2