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

Systemtic Name: 1-(1-adamantylcarbonylamino)heptadecan-4-yl-dimethyl-azanium bromide Openeye Name: 1-[3-(adamantane-1-carbonylamino)propyl]tetradecyl-dimethyl-ammonium bromide CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]heptadecan-4-yl-dimethylammonium bromide IUPAC Name: 1-(adamantane-1-carbonylamino)heptadecan-4-yl-dimethylazanium bromide Traditional Name: 1-[3-(adamantane-1-carbonylamino)propyl]tetradecyl-dimethyl-ammonium bromide Formula: C30H57BrN2O MolecularWeight: 541.69038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56N2O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-16-28(32(2)3)17-15-18-31-29(33)30-22-25-19-26(23-30)21-27(20-25)24-30;/h25-28H,4-24H2,1-3H3,(H,31,33);1H