2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-bromobenzyl)piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H28BrN3O+2 MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O/c1-16-4-3-5-17(2)21(16)23-20(26)15-25-12-10-24(11-13-25)14-18-6-8-19(22)9-7-18/h3-9H,10-15H2,1-2H3,(H,23,26)/p+2