2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H27BrN3O3+ MolecularWeight: 473.38278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3/c1-17-2-8-20(9-3-17)25-22(29)16-26-12-14-27(15-13-26)23(30)11-10-21(28)18-4-6-19(24)7-5-18/h2-9H,10-16H2,1H3,(H,25,29)/p+1