[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C21H22ClF3N3O4+ MolecularWeight: 472.86529

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H21ClF3N3O4/c1-2-28(11-19(29)26-14-4-6-17-18(10-14)32-8-7-31-17)12-20(30)27-16-9-13(21(23,24)25)3-5-15(16)22/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,26,29)(H,27,30)/p+1