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

Systemtic Name: 1-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]urea Openeye Name: [2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]urea CAS Name: [2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethyl]urea IUPAC Name: [2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]urea Traditional Name: [2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethyl]urea Formula: C13H17F3N5O2+ MolecularWeight: 332.30159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CNC(=O)N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CNC(=O)N

InChI

InChI=1S/C13H16F3N5O2/c14-13(15,16)9-1-2-10(18-7-9)20-3-5-21(6-4-20)11(22)8-19-12(17)23/h1-2,7H,3-6,8H2,(H3,17,19,23)/p+1