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

Systemtic Name: N-(4-acetamido-5-chloranyl-2-oxidanyl-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanamide chloride Openeye Name: N-(4-acetamido-5-chloro-2-hydroxy-phenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide chloride CAS Name: N-(4-acetamido-5-chloro-2-hydroxyphenyl)-2-(1,4-dimethyl-1-piperazin-1-iumyl)acetamide chloride IUPAC Name: N-(4-acetamido-5-chloro-2-hydroxyphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)acetamide chloride Traditional Name: N-(4-acetamido-5-chloro-2-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=CC(=C(C=C1Cl)NC(=O)C[N+]2(CCN(CC2)C)C)O.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1Cl)NC(=O)C[N+]2(CCN(CC2)C)C)O.[Cl-]

InChI

InChI=1S/C16H23ClN4O3.ClH/c1-11(22)18-13-9-15(23)14(8-12(13)17)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