3-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]propyl-dimethyl-ammonium Formula: C13H19BrClN2O2+ MolecularWeight: 350.65916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)COC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)COC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C13H18BrClN2O2/c1-17(2)7-3-6-16-13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)/p+1