[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: [2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]-ethyl-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]ammonium Formula: C21H22F3N4O5+ MolecularWeight: 467.41839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21F3N4O5/c1-2-28(10-18(29)26-15-6-4-3-5-14(15)21(22,23)24)11-19(30)27-20(31)25-13-7-8-16-17(9-13)33-12-32-16/h3-9H,2,10-12H2,1H3,(H,26,29)(H2,25,27,30,31)/p+1