1-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]-3-phenyl-urea

Systemtic Name: 1-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]propyl]-3-phenylurea IUPAC Name: 1-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]-3-phenylurea Traditional Name: 1-[3-keto-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propyl]-3-phenyl-urea Formula: C20H23F3N5O2+ MolecularWeight: 422.42413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N5O2/c21-20(22,23)15-6-7-17(25-14-15)27-10-12-28(13-11-27)18(29)8-9-24-19(30)26-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H2,24,26,30)/p+1