N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-16-13-17(22)7-8-19(16)24-20(27)14-23-21(28)15-25-9-11-26(12-10-25)18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,27)/p+1