dodecyl-dimethyl-[2-[4-(2-methylheptan-2-yl)phenyl]ethyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[2-[4-(2-methylheptan-2-yl)phenyl]ethyl]azanium bromide Openeye Name: 2-[4-(1,1-dimethylhexyl)phenyl]ethyl-dodecyl-dimethyl-ammonium bromide CAS Name: dodecyl-dimethyl-[2-[4-(2-methylheptan-2-yl)phenyl]ethyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-[2-[4-(2-methylheptan-2-yl)phenyl]ethyl]azanium bromide Traditional Name: 2-[4-(1,1-dimethylhexyl)phenyl]ethyl-lauryl-dimethyl-ammonium bromide Formula: C30H56BrN MolecularWeight: 510.67634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCC1=CC=C(C=C1)C(C)(C)CCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCC1=CC=C(C=C1)C(C)(C)CCCCC.[Br-]

InChI

InChI=1S/C30H56N.BrH/c1-7-9-11-12-13-14-15-16-17-19-26-31(5,6)27-24-28-20-22-29(23-21-28)30(3,4)25-18-10-8-2;/h20-23H,7-19,24-27H2,1-6H3;1H/q+1;/p-1