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

Systemtic Name: [3-[3-[(4-aminophenyl)carbonylamino]propyl]-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-[3-[(4-aminobenzoyl)amino]propyl]-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-[3-[[(4-aminophenyl)-oxomethyl]amino]propyl]-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-[3-[(4-aminobenzoyl)amino]propyl]-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-[3-[(4-aminobenzoyl)amino]propyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C24H44BrN3O MolecularWeight: 470.52966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43N3O.BrH/c1-4-5-6-7-8-9-10-11-13-21(24(2,3)26)14-12-19-27-23(28)20-15-17-22(25)18-16-20;/h15-18,21H,4-14,19,25-26H2,1-3H3,(H,27,28);1H