2-[4-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(3-chloro-4-hydroxy-benzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-4-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(3-chloro-4-hydroxy-benzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C19H20Cl2N3O3+ MolecularWeight: 409.2864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC(=C(C=C3)O)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C19H19Cl2N3O3/c20-14-3-1-2-4-16(14)22-18(26)12-23-7-9-24(10-8-23)19(27)13-5-6-17(25)15(21)11-13/h1-6,11,25H,7-10,12H2,(H,22,26)/p+1