N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)ethanamide Openeye Name: N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide CAS Name: N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide IUPAC Name: N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide Traditional Name: N-(3-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide Formula: C13H19BrN3O+ MolecularWeight: 313.21346

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H18BrN3O/c14-11-3-1-4-12(9-11)16-13(18)10-17-7-2-5-15-6-8-17/h1,3-4,9,15H,2,5-8,10H2,(H,16,18)/p+1