(1-adamantylcarbonylamino)-dodecyl-methyl-propan-2-yl-azanium bromide

Systemtic Name: (1-adamantylcarbonylamino)-dodecyl-methyl-propan-2-yl-azanium bromide Openeye Name: (adamantane-1-carbonylamino)-dodecyl-isopropyl-methyl-ammonium bromide CAS Name: [[1-adamantyl(oxo)methyl]amino]-dodecyl-methyl-propan-2-ylammonium bromide IUPAC Name: (adamantane-1-carbonylamino)-dodecyl-methyl-propan-2-ylazanium bromide Traditional Name: (adamantane-1-carbonylamino)-isopropyl-lauryl-methyl-ammonium bromide Formula: C27H51BrN2O MolecularWeight: 499.61064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N2O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-29(4,22(2)3)28-26(30)27-19-23-16-24(20-27)18-25(17-23)21-27;/h22-25H,5-21H2,1-4H3;1H