[3-[3-(1-adamantylcarbonylamino)propyl]-2-methyl-tridecan-2-yl]azanium bromide

Systemtic Name: [3-[3-(1-adamantylcarbonylamino)propyl]-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-[3-(adamantane-1-carbonylamino)propyl]-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-[3-[[1-adamantyl(oxo)methyl]amino]propyl]-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-[3-(adamantane-1-carbonylamino)propyl]-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-[3-(adamantane-1-carbonylamino)propyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C28H53BrN2O MolecularWeight: 513.63722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCNC(=O)C12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CCCNC(=O)C12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C28H52N2O.BrH/c1-4-5-6-7-8-9-10-11-13-25(27(2,3)29)14-12-15-30-26(31)28-19-22-16-23(20-28)18-24(17-22)21-28;/h22-25H,4-21,29H2,1-3H3,(H,30,31);1H