[1-phenyl-2-(phenylmethyl)octadecan-2-yl]azanium bromide

Systemtic Name: [1-phenyl-2-(phenylmethyl)octadecan-2-yl]azanium bromide Openeye Name: 1,1-dibenzylheptadecylammonium bromide CAS Name: [1-phenyl-2-(phenylmethyl)octadecan-2-yl]ammonium bromide IUPAC Name: (2-benzyl-1-phenyloctadecan-2-yl)azanium bromide Traditional Name: 1,1-dibenzylheptadecylammonium bromide Formula: C31H50BrN MolecularWeight: 516.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)(CC2=CC=CC=C2)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)(CC2=CC=CC=C2)[NH3+].[Br-]

InChI

InChI=1S/C31H49N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-31(32,27-29-22-17-15-18-23-29)28-30-24-19-16-20-25-30;/h15-20,22-25H,2-14,21,26-28,32H2,1H3;1H