tris(2-ethylhexyl)-(phenylmethyl)azanium bromide

Systemtic Name: tris(2-ethylhexyl)-(phenylmethyl)azanium bromide Openeye Name: benzyl-tris(2-ethylhexyl)ammonium bromide CAS Name: tris(2-ethylhexyl)-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-tris(2-ethylhexyl)azanium bromide Traditional Name: benzyl-tris(2-ethylhexyl)ammonium bromide Formula: C31H58BrN MolecularWeight: 524.70292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[N+](CC1=CC=CC=C1)(CC(CC)CCCC)CC(CC)CCCC.[Br-]

Isomeric SMILES

CCCCC(CC)C[N+](CC1=CC=CC=C1)(CC(CC)CCCC)CC(CC)CCCC.[Br-]

InChI

InChI=1S/C31H58N.BrH/c1-7-13-19-28(10-4)24-32(25-29(11-5)20-14-8-2,26-30(12-6)21-15-9-3)27-31-22-17-16-18-23-31;/h16-18,22-23,28-30H,7-15,19-21,24-27H2,1-6H3;1H/q+1;/p-1