1-(1-adamantylcarbonylamino)pentadecan-4-yl-dimethyl-azanium bromide

Systemtic Name: 1-(1-adamantylcarbonylamino)pentadecan-4-yl-dimethyl-azanium bromide Openeye Name: 1-[3-(adamantane-1-carbonylamino)propyl]dodecyl-dimethyl-ammonium bromide CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]pentadecan-4-yl-dimethylammonium bromide IUPAC Name: 1-(adamantane-1-carbonylamino)pentadecan-4-yl-dimethylazanium bromide Traditional Name: 1-[3-(adamantane-1-carbonylamino)propyl]dodecyl-dimethyl-ammonium bromide Formula: C28H53BrN2O MolecularWeight: 513.63722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52N2O.BrH/c1-4-5-6-7-8-9-10-11-12-14-26(30(2)3)15-13-16-29-27(31)28-20-23-17-24(21-28)19-25(18-23)22-28;/h23-26H,4-22H2,1-3H3,(H,29,31);1H