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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-[2,6-bis(chloranyl)-4-ethanoyl-phenyl]-N-methyl-piperazin-4-ium-2-carboxamide Openeye Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-oxo-ethyl)-N-methyl-piperazin-4-ium-2-carboxamide CAS Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-N-methyl-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(4-acetyl-2,6-dichlorophenyl)-4-(2-amino-2-oxoethyl)-N-methylpiperazin-4-ium-2-carboxamide Traditional Name: 4-(4-acetyl-2,6-dichloro-phenyl)-4-(2-amino-2-keto-ethyl)-N-methyl-piperazin-4-ium-2-carboxamide Formula: C16H21Cl2N4O3+ MolecularWeight: 388.26894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)Cl)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)Cl)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N)Cl

InChI

InChI=1S/C16H20Cl2N4O3/c1-9(23)10-5-11(17)15(12(18)6-10)22(8-14(19)24)4-3-21-13(7-22)16(25)20-2/h5-6,13,21H,3-4,7-8H2,1-2H3,(H2-,19,20,24,25)/p+1