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

Systemtic Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxidanylidene-butyl]pentadecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[4-(4-nitrophenoxy)-4-oxo-butyl]tetradecyl]ammonium bromide CAS Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxobutyl]pentadecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-[4-(4-nitrophenoxy)-4-oxobutyl]pentadecan-2-yl]azanium bromide Traditional Name: [2-[4-keto-4-(4-nitrophenoxy)butyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C26H45BrN2O4 MolecularWeight: 529.5505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O4.BrH/c1-4-5-6-7-8-9-10-11-12-13-15-22(26(2,3)27)16-14-17-25(29)32-24-20-18-23(19-21-24)28(30)31;/h18-22H,4-17,27H2,1-3H3;1H