2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C24H29BrN3O3+ MolecularWeight: 487.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrN3O3/c1-17-4-3-5-21(18(17)2)26-23(30)16-27-12-14-28(15-13-27)24(31)11-10-22(29)19-6-8-20(25)9-7-19/h3-9H,10-16H2,1-2H3,(H,26,30)/p+1