dimethyl-[3-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl]ammonium CAS Name: dimethyl-[3-[[oxo-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl]azanium Traditional Name: dimethyl-[3-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl]ammonium Formula: C14H19F3N3O3+ MolecularWeight: 334.31417

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)NC1(OC2=CC=CC=C2O1)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCCNC(=O)NC1(OC2=CC=CC=C2O1)C(F)(F)F

InChI

InChI=1S/C14H18F3N3O3/c1-20(2)9-5-8-18-12(21)19-14(13(15,16)17)22-10-6-3-4-7-11(10)23-14/h3-4,6-7H,5,8-9H2,1-2H3,(H2,18,19,21)/p+1