[2-methyl-3-[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]pentadecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]pentadecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[2-(4-nitrophenoxy)-2-oxo-ethyl]tetradecyl]ammonium bromide CAS Name: [2-methyl-3-[2-(4-nitrophenoxy)-2-oxoethyl]pentadecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-[2-(4-nitrophenoxy)-2-oxoethyl]pentadecan-2-yl]azanium bromide Traditional Name: [2-[2-keto-2-(4-nitrophenoxy)ethyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C24H41BrN2O4 MolecularWeight: 501.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-20(24(2,3)25)19-23(27)30-22-17-15-21(16-18-22)26(28)29;/h15-18,20H,4-14,19,25H2,1-3H3;1H