azanyl-[2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl]-dimethyl-azanium bromide

Systemtic Name: azanyl-[2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl]-dimethyl-azanium bromide Openeye Name: amino-[2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl]-dimethyl-ammonium bromide CAS Name: amino-[2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl]-dimethylammonium bromide IUPAC Name: amino-[2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl]-dimethylazanium bromide Traditional Name: amino-[2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl]-dimethyl-ammonium bromide Formula: C18H29BrN2O3 MolecularWeight: 401.33846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)N.[Br-]

Isomeric SMILES

C[N+](C)(CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)N.[Br-]

InChI

InChI=1S/C18H29N2O3.BrH/c1-20(2,19)13-14-23-17(21)18(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16,22H,4,7-8,11-14,19H2,1-2H3;1H/q+1;/p-1