1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-phenyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propyl]urea Formula: C21H26F3N4O+ MolecularWeight: 407.45255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N4O/c22-21(23,24)17-6-4-9-19(16-17)28-14-12-27(13-15-28)11-5-10-25-20(29)26-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H2,25,26,29)/p+1