2-methylnonadecan-2-yl-(phenylmethyl)azanium bromide

Systemtic Name: 2-methylnonadecan-2-yl-(phenylmethyl)azanium bromide Openeye Name: benzyl(1,1-dimethyloctadecyl)ammonium bromide CAS Name: 2-methylnonadecan-2-yl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl(2-methylnonadecan-2-yl)azanium bromide Traditional Name: benzyl(1,1-dimethyloctadecyl)ammonium bromide Formula: C27H50BrN MolecularWeight: 468.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C27H49N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(2,3)28-25-26-22-19-18-20-23-26;/h18-20,22-23,28H,4-17,21,24-25H2,1-3H3;1H