N-(2-bromanyl-4-nitro-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C13H19BrN4O3+2 MolecularWeight: 359.21896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H17BrN4O3/c1-16-4-6-17(7-5-16)9-13(19)15-12-3-2-10(18(20)21)8-11(12)14/h2-3,8H,4-7,9H2,1H3,(H,15,19)/p+2