N-(3-azanyl-4-chloranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-chlorophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-amino-4-chlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-chloro-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C12H16ClN4O2+ MolecularWeight: 283.73404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C12H15ClN4O2/c13-9-2-1-8(5-10(9)14)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7,14H2,(H,15,18)(H,16,19)/p+1