2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-prop-2-ynyl-azanium bromide

Systemtic Name: 2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-prop-2-ynyl-azanium bromide Openeye Name: 2-(4-amino-2,6-dibromo-phenoxy)ethyl-dimethyl-prop-2-ynyl-ammonium bromide CAS Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-prop-2-ynylammonium bromide IUPAC Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-prop-2-ynylazanium bromide Traditional Name: 2-(4-amino-2,6-dibromo-phenoxy)ethyl-dimethyl-propargyl-ammonium bromide Formula: C13H17Br3N2O MolecularWeight: 456.99888

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=C(C=C(C=C1Br)N)Br)CC#C.[Br-]

Isomeric SMILES

C[N+](C)(CCOC1=C(C=C(C=C1Br)N)Br)CC#C.[Br-]

InChI

InChI=1S/C13H17Br2N2O.BrH/c1-4-5-17(2,3)6-7-18-13-11(14)8-10(16)9-12(13)15;/h1,8-9H,5-7,16H2,2-3H3;1H/q+1;/p-1