N-[(4-chlorophenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3O2/c14-11-3-1-10(2-4-11)7-16-13(19)9-17-6-5-15-12(18)8-17/h1-4H,5-9H2,(H,15,18)(H,16,19)/p+1