2-(azepan-1-ium-1-yl)-N-(4-bromanyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-bromanyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-bromo-2-nitro-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-bromo-2-nitrophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-bromo-2-nitrophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-bromo-2-nitro-phenyl)acetamide Formula: C14H19BrN3O3+ MolecularWeight: 357.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H18BrN3O3/c15-11-5-6-12(13(9-11)18(20)21)16-14(19)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,16,19)/p+1