2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(2-chloro-4-fluorophenoxy)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C21H26ClFN3O2+ MolecularWeight: 406.901443

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl)C

InChI

InChI=1S/C21H25ClFN3O2/c1-3-25-8-10-26(11-9-25)17-5-6-19(15(2)12-17)24-21(27)14-28-20-7-4-16(23)13-18(20)22/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,24,27)/p+1