2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-(2-oxidanylidenepropyl)azanium chloride

Systemtic Name: 2-[4-azanyl-2,6-bis(bromanyl)phenoxy]ethyl-dimethyl-(2-oxidanylidenepropyl)azanium chloride Openeye Name: acetonyl-[2-(4-amino-2,6-dibromo-phenoxy)ethyl]-dimethyl-ammonium chloride CAS Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-(2-oxopropyl)ammonium chloride IUPAC Name: 2-(4-amino-2,6-dibromophenoxy)ethyl-dimethyl-(2-oxopropyl)azanium chloride Traditional Name: acetonyl-[2-(4-amino-2,6-dibromo-phenoxy)ethyl]-dimethyl-ammonium chloride Formula: C13H19Br2ClN2O2 MolecularWeight: 430.56316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19Br2N2O2.ClH/c1-9(18)8-17(2,3)4-5-19-13-11(14)6-10(16)7-12(13)15;/h6-7H,4-5,8,16H2,1-3H3;1H/q+1;/p-1