8-(2-heptylphenyl)pentadecan-8-ylazanium bromide

Systemtic Name: 8-(2-heptylphenyl)pentadecan-8-ylazanium bromide Openeye Name: [1-heptyl-1-(2-heptylphenyl)octyl]ammonium bromide CAS Name: 8-(2-heptylphenyl)pentadecan-8-ylammonium bromide IUPAC Name: 8-(2-heptylphenyl)pentadecan-8-ylazanium bromide Traditional Name: [1-heptyl-1-(2-heptylphenyl)octyl]ammonium bromide Formula: C28H52BrN MolecularWeight: 482.62318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C(CCCCCCC)(CCCCCCC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C(CCCCCCC)(CCCCCCC)[NH3+].[Br-]

InChI

InChI=1S/C28H51N.BrH/c1-4-7-10-13-16-21-26-22-17-18-23-27(26)28(29,24-19-14-11-8-5-2)25-20-15-12-9-6-3;/h17-18,22-23H,4-16,19-21,24-25,29H2,1-3H3;1H