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

Systemtic Name: 2-[4-[2-(3-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(3-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3/c1-16-5-3-8-20(17(16)2)24-21(27)14-25-9-11-26(12-10-25)22(28)15-29-19-7-4-6-18(23)13-19/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)/p+1