4-phenethyl-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-phenethyl-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-phenethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-phenethyl-N-[4-(trifluoromethoxy)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-phenethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-phenethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carboxamide Formula: C20H23F3N3O2+ MolecularWeight: 394.41073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3O2/c21-20(22,23)28-18-8-6-17(7-9-18)24-19(27)26-14-12-25(13-15-26)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,24,27)/p+1