[4-[2-(1-adamantylcarbonylamino)ethyl]-3-ethyl-tetradecan-3-yl]azanium bromide

Systemtic Name: [4-[2-(1-adamantylcarbonylamino)ethyl]-3-ethyl-tetradecan-3-yl]azanium bromide Openeye Name: [2-[2-(adamantane-1-carbonylamino)ethyl]-1,1-diethyl-dodecyl]ammonium bromide CAS Name: [4-[2-[[1-adamantyl(oxo)methyl]amino]ethyl]-3-ethyltetradecan-3-yl]ammonium bromide IUPAC Name: [4-[2-(adamantane-1-carbonylamino)ethyl]-3-ethyltetradecan-3-yl]azanium bromide Traditional Name: [2-[2-(adamantane-1-carbonylamino)ethyl]-1,1-diethyl-dodecyl]ammonium bromide Formula: C29H55BrN2O MolecularWeight: 527.6638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N2O.BrH/c1-4-7-8-9-10-11-12-13-14-26(29(30,5-2)6-3)15-16-31-27(32)28-20-23-17-24(21-28)19-25(18-23)22-28;/h23-26H,4-22,30H2,1-3H3,(H,31,32);1H