N-(3-bromophenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-bromophenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(3-bromophenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(3-bromophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-bromophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3-bromophenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H17BrN3O+ MolecularWeight: 299.18688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H16BrN3O/c13-10-2-1-3-11(8-10)15-12(17)9-16-6-4-14-5-7-16/h1-3,8,14H,4-7,9H2,(H,15,17)/p+1