2-[4-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-bromo-2-formyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(4-bromo-2-formylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-bromo-2-formylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(4-bromo-2-formyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H27BrN3O4+ MolecularWeight: 489.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C23H26BrN3O4/c1-16-4-3-5-17(2)23(16)25-21(29)13-26-8-10-27(11-9-26)22(30)15-31-20-7-6-19(24)12-18(20)14-28/h3-7,12,14H,8-11,13,15H2,1-2H3,(H,25,29)/p+1