[2-methyl-3-[4-(4-nitrophenoxy)-4-oxidanylidene-butyl]tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxidanylidene-butyl]tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[4-(4-nitrophenoxy)-4-oxo-butyl]dodecyl]ammonium bromide CAS Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxobutyl]tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxobutyl]tridecan-2-yl]azanium bromide Traditional Name: [2-[4-keto-4-(4-nitrophenoxy)butyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C24H41BrN2O4 MolecularWeight: 501.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4.BrH/c1-4-5-6-7-8-9-10-11-13-20(24(2,3)25)14-12-15-23(27)30-22-18-16-21(17-19-22)26(28)29;/h16-20H,4-15,25H2,1-3H3;1H