bromanylmethane; diethyl-methyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium; bromide

Systemtic Name: bromanylmethane; diethyl-methyl-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]azanium; bromide Openeye Name: bromomethane; diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium; bromide CAS Name: bromomethane; diethyl-[2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl]-methylammonium; bromide IUPAC Name: bromomethane; diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium; bromide Traditional Name: 2-benziloyloxyethyl-diethyl-methyl-ammonium; bromomethane; bromide Formula: C22H31Br2NO3 MolecularWeight: 517.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.CBr.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.CBr.[Br-]

InChI

InChI=1S/C21H28NO3.CH3Br.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2;/h6-15,24H,4-5,16-17H2,1-3H3;1H3;1H/q+1;;/p-1