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1-(2-cyclohexylphenyl)-3-[3-[4-(trifluoromethyl)piperazin-1-ium-1-yl]propyl]urea
1-(2-cyclohexylphenyl)-3-[3-[4-(trifluoromethyl)piperazin-1-ium-1-yl]propyl]urea
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(CC1)C2=CC=CC=C2NC(=O)NCCC[NH+]3CCN(CC3)C(F)(F)F
Isomeric SMILES
C1CCC(CC1)C2=CC=CC=C2NC(=O)NCCC[NH+]3CCN(CC3)C(F)(F)F
InChI
InChI=1S/C21H31F3N4O/c22-21(23,24)28-15-13-27(14-16-28)12-6-11-25-20(29)26-19-10-5-4-9-18(19)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2,(H2,25,26,29)/p+1
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