5,9-diethyltridecan-7-yl-(phenylmethyl)azanium bromide

Systemtic Name: 5,9-diethyltridecan-7-yl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[3-ethyl-1-(2-ethylhexyl)heptyl]ammonium bromide CAS Name: 5,9-diethyltridecan-7-yl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl(5,9-diethyltridecan-7-yl)azanium bromide Traditional Name: benzyl-[3-ethyl-1-(2-ethylhexyl)heptyl]ammonium bromide Formula: C24H44BrN MolecularWeight: 426.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)[NH2+]CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)[NH2+]CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C24H43N.BrH/c1-5-9-14-21(7-3)18-24(19-22(8-4)15-10-6-2)25-20-23-16-12-11-13-17-23;/h11-13,16-17,21-22,24-25H,5-10,14-15,18-20H2,1-4H3;1H