2-[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-bromo-4-methylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H29BrN3O3+ MolecularWeight: 475.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C)Br

InChI

InChI=1S/C23H28BrN3O3/c1-16-7-8-21(19(24)13-16)30-15-23(29)27-11-9-26(10-12-27)14-22(28)25-20-6-4-5-17(2)18(20)3/h4-8,13H,9-12,14-15H2,1-3H3,(H,25,28)/p+1