N-(2-methylphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(o-tolyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(2-methylphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-ketopiperazin-1-ium-2-yl]-N-(o-tolyl)acetamide Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C13H17N3O2/c1-9-4-2-3-5-10(9)16-12(17)8-11-13(18)15-7-6-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)/p+1/t11-/m0/s1