1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(pyridin-1-ium-3-ylmethyl)urea

Systemtic Name: 1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(pyridin-1-ium-3-ylmethyl)urea Openeye Name: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(pyridin-1-ium-3-ylmethyl)urea CAS Name: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(3-pyridin-1-iumylmethyl)urea IUPAC Name: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(pyridin-1-ium-3-ylmethyl)urea Traditional Name: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(pyridin-1-ium-3-ylmethyl)urea Formula: C15H12ClF3N3O3+ MolecularWeight: 374.72229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C15H11ClF3N3O3/c16-10-3-4-11-12(6-10)25-15(24-11,14(17,18)19)22-13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H2,21,22,23)/p+1