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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(2R)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C13H17ClN3O2+ MolecularWeight: 282.74598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NCC[NH2+]2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H]2C(=O)NCC[NH2+]2)Cl

InChI

InChI=1S/C13H16ClN3O2/c1-8-2-3-9(6-10(8)14)17-12(18)7-11-13(19)16-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,19)(H,17,18)/p+1/t11-/m1/s1