[2-methyl-3-[3-[(4-nitrophenyl)carbonylamino]propyl]tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-[3-[(4-nitrophenyl)carbonylamino]propyl]tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-[3-[(4-nitrobenzoyl)amino]propyl]dodecyl]ammonium bromide CAS Name: [2-methyl-3-[3-[[(4-nitrophenyl)-oxomethyl]amino]propyl]tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-[3-[(4-nitrobenzoyl)amino]propyl]tridecan-2-yl]azanium bromide Traditional Name: [1,1-dimethyl-2-[3-[(4-nitrobenzoyl)amino]propyl]dodecyl]ammonium bromide Formula: C24H42BrN3O3 MolecularWeight: 500.51258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N3O3.BrH/c1-4-5-6-7-8-9-10-11-13-21(24(2,3)25)14-12-19-26-23(28)20-15-17-22(18-16-20)27(29)30;/h15-18,21H,4-14,19,25H2,1-3H3,(H,26,28);1H