(2-tert-butyl-4,6-dimethyl-phenyl)methyl-(2-chloroethyl)-ethyl-azanium chloride

Systemtic Name: (2-tert-butyl-4,6-dimethyl-phenyl)methyl-(2-chloroethyl)-ethyl-azanium chloride Openeye Name: (2-tert-butyl-4,6-dimethyl-phenyl)methyl-(2-chloroethyl)-ethyl-ammonium chloride CAS Name: (2-tert-butyl-4,6-dimethylphenyl)methyl-(2-chloroethyl)-ethylammonium chloride IUPAC Name: (2-tert-butyl-4,6-dimethylphenyl)methyl-(2-chloroethyl)-ethylazanium chloride Traditional Name: (2-tert-butyl-4,6-dimethyl-benzyl)-(2-chloroethyl)-ethyl-ammonium chloride Formula: C17H29Cl2N MolecularWeight: 318.32486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCl)CC1=C(C=C(C=C1C(C)(C)C)C)C.[Cl-]

Isomeric SMILES

CC[NH+](CCCl)CC1=C(C=C(C=C1C(C)(C)C)C)C.[Cl-]

InChI

InChI=1S/C17H28ClN.ClH/c1-7-19(9-8-18)12-15-14(3)10-13(2)11-16(15)17(4,5)6;/h10-11H,7-9,12H2,1-6H3;1H