[2-methyl-3-(phenylmethyl)heptadecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-(phenylmethyl)heptadecan-2-yl]azanium bromide Openeye Name: (2-benzyl-1,1-dimethyl-hexadecyl)ammonium bromide CAS Name: [2-methyl-3-(phenylmethyl)heptadecan-2-yl]ammonium bromide IUPAC Name: (3-benzyl-2-methylheptadecan-2-yl)azanium bromide Traditional Name: (2-benzyl-1,1-dimethyl-hexadecyl)ammonium bromide Formula: C25H46BrN MolecularWeight: 440.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(2,3)26)22-23-19-16-15-17-20-23;/h15-17,19-20,24H,4-14,18,21-22,26H2,1-3H3;1H