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

Systemtic Name: [3-[3-(1-adamantylcarbonylamino)propyl]-2-methyl-pentadecan-2-yl]azanium bromide Openeye Name: [2-[3-(adamantane-1-carbonylamino)propyl]-1,1-dimethyl-tetradecyl]ammonium bromide CAS Name: [3-[3-[[1-adamantyl(oxo)methyl]amino]propyl]-2-methylpentadecan-2-yl]ammonium bromide IUPAC Name: [3-[3-(adamantane-1-carbonylamino)propyl]-2-methylpentadecan-2-yl]azanium bromide Traditional Name: [2-[3-(adamantane-1-carbonylamino)propyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C30H57BrN2O MolecularWeight: 541.69038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56N2O.BrH/c1-4-5-6-7-8-9-10-11-12-13-15-27(29(2,3)31)16-14-17-32-28(33)30-21-24-18-25(22-30)20-26(19-24)23-30;/h24-27H,4-23,31H2,1-3H3,(H,32,33);1H