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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]acetamide Formula: C16H25BrN4O2+2 MolecularWeight: 385.2993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN4O2/c1-12-9-13(17)3-4-14(12)19-15(22)10-18-16(23)11-21-7-5-20(2)6-8-21/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)/p+2