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

Systemtic Name: [4-[2-(1-adamantylcarbonylamino)ethyl]-3-ethyl-dodecan-3-yl]azanium bromide Openeye Name: [2-[2-(adamantane-1-carbonylamino)ethyl]-1,1-diethyl-decyl]ammonium bromide CAS Name: [4-[2-[[1-adamantyl(oxo)methyl]amino]ethyl]-3-ethyldodecan-3-yl]ammonium bromide IUPAC Name: [4-[2-(adamantane-1-carbonylamino)ethyl]-3-ethyldodecan-3-yl]azanium bromide Traditional Name: [2-[2-(adamantane-1-carbonylamino)ethyl]-1,1-diethyl-decyl]ammonium bromide Formula: C27H51BrN2O MolecularWeight: 499.61064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N2O.BrH/c1-4-7-8-9-10-11-12-24(27(28,5-2)6-3)13-14-29-25(30)26-18-21-15-22(19-26)17-23(16-21)20-26;/h21-24H,4-20,28H2,1-3H3,(H,29,30);1H