N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide

Systemtic Name: N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C16H24ClN4O3+ MolecularWeight: 355.83976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C2CN(CC[N+]2(C)C)C)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C2CN(CC[N+]2(C)C)C)O

InChI

InChI=1S/C16H23ClN4O3/c1-10(22)18-13-7-11(17)12(8-15(13)23)19-16(24)14-9-20(2)5-6-21(14,3)4/h7-8,14H,5-6,9H2,1-4H3,(H2-,18,19,22,23,24)/p+1