N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C23H30BrN4O2+ MolecularWeight: 474.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C)C

InChI

InChI=1S/C23H29BrN4O2/c1-16-5-4-6-21(18(16)3)28-11-9-27(10-12-28)15-23(30)25-14-22(29)26-20-8-7-19(24)13-17(20)2/h4-8,13H,9-12,14-15H2,1-3H3,(H,25,30)(H,26,29)/p+1