N-(2,3-dimethylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-11-4-3-5-13(12(11)2)19-14(21)8-18-16(23)10-20-7-6-17-15(22)9-20/h3-5H,6-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,21)/p+1