hexadecyl-tris(5-methyl-2-propan-2-yl-cyclohexyl)azanium bromide

Systemtic Name: hexadecyl-tris(5-methyl-2-propan-2-yl-cyclohexyl)azanium bromide Openeye Name: hexadecyl-tris(2-isopropyl-5-methyl-cyclohexyl)ammonium bromide CAS Name: hexadecyl-tris(5-methyl-2-propan-2-ylcyclohexyl)ammonium bromide IUPAC Name: hexadecyl-tris(5-methyl-2-propan-2-ylcyclohexyl)azanium bromide Traditional Name: cetyl-tris(2-isopropyl-5-methyl-cyclohexyl)ammonium bromide Formula: C46H90BrN MolecularWeight: 737.1175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C1CC(CCC1C(C)C)C)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C1CC(CCC1C(C)C)C)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C.[Br-]

InChI

InChI=1S/C46H90N.BrH/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-47(44-32-38(8)25-28-41(44)35(2)3,45-33-39(9)26-29-42(45)36(4)5)46-34-40(10)27-30-43(46)37(6)7;/h35-46H,11-34H2,1-10H3;1H/q+1;/p-1