N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20ClFN3O2+ MolecularWeight: 364.821703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H19ClFN3O2/c19-16-11-13(1-6-17(16)20)21-18(25)12-22-7-9-23(10-8-22)14-2-4-15(24)5-3-14/h1-6,11,24H,7-10,12H2,(H,21,25)/p+1