N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanamide chloride

Systemtic Name: N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide chloride CAS Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(1,4-dimethyl-1-piperazin-1-iumyl)acetamide chloride IUPAC Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide chloride Traditional Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide chloride Formula: C16H24Cl2N4O3 MolecularWeight: 391.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2(CCN(CC2)C)C)O.[Cl-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2(CCN(CC2)C)C)O.[Cl-]

InChI

InChI=1S/C16H23ClN4O3.ClH/c1-11(22)18-14-8-12(17)13(9-15(14)23)19-16(24)10-21(3)6-4-20(2)5-7-21;/h8-9H,4-7,10H2,1-3H3,(H2-,18,19,22,23,24);1H