(5-bromanyl-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)azanium chloride

Systemtic Name: (5-bromanyl-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)azanium chloride Openeye Name: (5-bromo-2-ethoxy-phenyl)methyl-bis(2-chloroethyl)ammonium chloride CAS Name: (5-bromo-2-ethoxyphenyl)methyl-bis(2-chloroethyl)ammonium chloride IUPAC Name: (5-bromo-2-ethoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride Traditional Name: (5-bromo-2-ethoxy-benzyl)-bis(2-chloroethyl)ammonium chloride Formula: C13H19BrCl3NO MolecularWeight: 391.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C13H18BrCl2NO.ClH/c1-2-18-13-4-3-12(14)9-11(13)10-17(7-5-15)8-6-16;/h3-4,9H,2,5-8,10H2,1H3;1H