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

Systemtic Name: [2-methyl-3-(2-naphthalen-2-yloxy-2-oxidanylidene-ethyl)pentadecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[2-(2-naphthyloxy)-2-oxo-ethyl]tetradecyl]ammonium bromide CAS Name: [2-methyl-3-[2-(2-naphthalenyloxy)-2-oxoethyl]pentadecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(2-naphthalen-2-yloxy-2-oxoethyl)pentadecan-2-yl]azanium bromide Traditional Name: [2-[2-keto-2-(2-naphthoxy)ethyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C28H44BrNO2 MolecularWeight: 506.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)OC1=CC2=CC=CC=C2C=C1)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)OC1=CC2=CC=CC=C2C=C1)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C28H43NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-25(28(2,3)29)22-27(30)31-26-20-19-23-16-14-15-17-24(23)21-26;/h14-17,19-21,25H,4-13,18,22,29H2,1-3H3;1H