N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H16Cl2N3O2+ MolecularWeight: 317.19104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N3O2/c1-8-2-3-9(14)13(12(8)15)17-11(20)7-18-5-4-16-10(19)6-18/h2-3H,4-7H2,1H3,(H,16,19)(H,17,20)/p+1