bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride Openeye Name: bis(2-chloroethyl)-(p-tolylmethyl)ammonium chloride CAS Name: bis(2-chloroethyl)-[(4-methylphenyl)methyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-[(4-methylphenyl)methyl]azanium chloride Traditional Name: bis(2-chloroethyl)-(4-methylbenzyl)ammonium chloride Formula: C12H18Cl3N MolecularWeight: 282.63702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C12H17Cl2N.ClH/c1-11-2-4-12(5-3-11)10-15(8-6-13)9-7-14;/h2-5H,6-10H2,1H3;1H