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

Systemtic Name: N-(4-bromanyl-2-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-bromo-2-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(4-bromo-2-nitrophenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(4-bromo-2-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C12H15BrN3O3+ MolecularWeight: 329.1698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H14BrN3O3/c13-9-3-4-10(11(7-9)16(18)19)14-12(17)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,14,17)/p+1