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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H17BrN3O2+ MolecularWeight: 327.19698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O2/c1-9-6-10(2-3-11(9)14)16-13(19)8-17-5-4-15-12(18)7-17/h2-3,6H,4-5,7-8H2,1H3,(H,15,18)(H,16,19)/p+1