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

Systemtic Name: N-(4-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)ethanamide Openeye Name: N-(4-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide CAS Name: N-(4-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide IUPAC Name: N-(4-bromophenyl)-2-(1,4-diazepan-4-ium-1-yl)acetamide Traditional Name: N-(4-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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O/c14-11-2-4-12(5-3-11)16-13(18)10-17-8-1-6-15-7-9-17/h2-5,15H,1,6-10H2,(H,16,18)/p+1