[2,3-bis(chloranyl)phenyl]methyl-dodecyl-dimethyl-azanium chloride

Systemtic Name: [2,3-bis(chloranyl)phenyl]methyl-dodecyl-dimethyl-azanium chloride Openeye Name: (2,3-dichlorophenyl)methyl-dodecyl-dimethyl-ammonium chloride CAS Name: (2,3-dichlorophenyl)methyl-dodecyl-dimethylammonium chloride IUPAC Name: (2,3-dichlorophenyl)methyl-dodecyl-dimethylazanium chloride Traditional Name: (2,3-dichlorobenzyl)-lauryl-dimethyl-ammonium chloride Formula: C21H36Cl3N MolecularWeight: 408.87624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=C(C(=CC=C1)Cl)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=C(C(=CC=C1)Cl)Cl.[Cl-]

InChI

InChI=1S/C21H36Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-24(2,3)18-19-15-14-16-20(22)21(19)23;/h14-16H,4-13,17-18H2,1-3H3;1H/q+1;/p-1