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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C15H20BrN4O3+ MolecularWeight: 384.2483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H19BrN4O3/c1-10-6-11(16)2-3-12(10)19-13(21)7-18-15(23)9-20-5-4-17-14(22)8-20/h2-3,6H,4-5,7-9H2,1H3,(H,17,22)(H,18,23)(H,19,21)/p+1