[2-methyl-3-(2-naphthalen-1-yloxy-2-oxidanylidene-ethyl)tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-(2-naphthalen-1-yloxy-2-oxidanylidene-ethyl)tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[2-(1-naphthyloxy)-2-oxo-ethyl]dodecyl]ammonium bromide CAS Name: [2-methyl-3-[2-(1-naphthalenyloxy)-2-oxoethyl]tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(2-naphthalen-1-yloxy-2-oxoethyl)tridecan-2-yl]azanium bromide Traditional Name: [2-[2-keto-2-(1-naphthoxy)ethyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C26H40BrNO2 MolecularWeight: 478.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)OC1=CC=CC2=CC=CC=C21)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CC(=O)OC1=CC=CC2=CC=CC=C21)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C26H39NO2.BrH/c1-4-5-6-7-8-9-10-11-17-22(26(2,3)27)20-25(28)29-24-19-14-16-21-15-12-13-18-23(21)24;/h12-16,18-19,22H,4-11,17,20,27H2,1-3H3;1H