3-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl-dimethylazanium Traditional Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]propyl-dimethyl-ammonium Formula: C14H18ClF3N3O3+ MolecularWeight: 368.75923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)NC1(OC2=C(O1)C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCCNC(=O)NC1(OC2=C(O1)C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H17ClF3N3O3/c1-21(2)7-3-6-19-12(22)20-14(13(16,17)18)23-10-5-4-9(15)8-11(10)24-14/h4-5,8H,3,6-7H2,1-2H3,(H2,19,20,22)/p+1