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

Systemtic Name: N-(4-bromanyl-2-nitro-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-bromo-2-nitro-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(4-bromo-2-nitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-bromo-2-nitro-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C13H17BrN3O3+ MolecularWeight: 343.19638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN3O3/c14-10-4-5-11(12(8-10)17(19)20)15-13(18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,18)/p+1