2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C26H25F3N3O3+ MolecularWeight: 484.49021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24F3N3O3/c27-26(28,29)22-11-4-5-12-23(22)30-24(33)18-31-13-15-32(16-14-31)25(34)19-7-6-10-21(17-19)35-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2,(H,30,33)/p+1