N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-phenylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27F3N3O+ MolecularWeight: 406.46449

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O/c23-22(24,25)19-9-4-10-20(16-19)28-14-12-27(13-15-28)17-21(29)26-11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16H,5,8,11-15,17H2,(H,26,29)/p+1