N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H28BrN3O+2 MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C)Br

InChI

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