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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C13H18F3N4S+ MolecularWeight: 319.36903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H17F3N4S/c1-19-6-8-20(9-7-19)18-12(21)17-11-5-3-2-4-10(11)13(14,15)16/h2-5H,6-9H2,1H3,(H2,17,18,21)/p+1