1-(3-methoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]urea Formula: C20H24F3N4O2+ MolecularWeight: 409.42537

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23F3N4O2/c1-26-8-10-27(11-9-26)18-7-6-14(20(21,22)23)12-17(18)25-19(28)24-15-4-3-5-16(13-15)29-2/h3-7,12-13H,8-11H2,1-2H3,(H2,24,25,28)/p+1