2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-(4-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H25BrN3O3+ MolecularWeight: 447.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3/c1-16-2-6-18(7-3-16)23-20(26)14-24-10-12-25(13-11-24)21(27)15-28-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H,23,26)/p+1