4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-[2,4,6-tris(chloranyl)phenyl]piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-4-[2,4,6-tris(chloranyl)phenyl]piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-methyl-4-(2,4,6-trichlorophenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trichlorophenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-methyl-4-(2,4,6-trichlorophenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-N-methyl-4-(2,4,6-trichlorophenyl)piperazin-4-ium-2-carboxamide Formula: C14H18Cl3N4O2+ MolecularWeight: 380.67732

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C[N+](CCN1)(CC(=O)N)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CNC(=O)C1C[N+](CCN1)(CC(=O)N)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C14H17Cl3N4O2/c1-19-14(23)11-6-21(3-2-20-11,7-12(18)22)13-9(16)4-8(15)5-10(13)17/h4-5,11,20H,2-3,6-7H2,1H3,(H2-,18,19,22,23)/p+1