[2-[bis(2-chloroethyl)amino]phenyl]azanium bromide

Systemtic Name: [2-[bis(2-chloroethyl)amino]phenyl]azanium bromide Openeye Name: [2-[bis(2-chloroethyl)amino]phenyl]ammonium bromide CAS Name: [2-[bis(2-chloroethyl)amino]phenyl]ammonium bromide IUPAC Name: [2-[bis(2-chloroethyl)amino]phenyl]azanium bromide Traditional Name: [2-[bis(2-chloroethyl)amino]phenyl]ammonium bromide Formula: C10H15BrCl2N2 MolecularWeight: 314.0495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[NH3+])N(CCCl)CCCl.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)[NH3+])N(CCCl)CCCl.[Br-]

InChI

InChI=1S/C10H14Cl2N2.BrH/c11-5-7-14(8-6-12)10-4-2-1-3-9(10)13;/h1-4H,5-8,13H2;1H