1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C15H22F3N4O+ MolecularWeight: 331.35659

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCNC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)CCNC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H21F3N4O/c1-21-8-10-22(11-9-21)7-6-19-14(23)20-13-5-3-2-4-12(13)15(16,17)18/h2-5H,6-11H2,1H3,(H2,19,20,23)/p+1