2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(4-chloro-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(4-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(4-chloro-2-hydroxy-benzoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C15H20ClN3O3/c1-17(2)14(21)10-18-5-7-19(8-6-18)15(22)12-4-3-11(16)9-13(12)20/h3-4,9,20H,5-8,10H2,1-2H3/p+1