diethyl-methyl-[3-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]propyl]azanium bromide

Systemtic Name: diethyl-methyl-[3-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]propyl]azanium bromide Openeye Name: diethyl-[3-[(2-hydroxy-2,2-diphenyl-acetyl)-methyl-amino]propyl]-methyl-ammonium bromide CAS Name: diethyl-[3-[(2-hydroxy-1-oxo-2,2-diphenylethyl)-methylamino]propyl]-methylammonium bromide IUPAC Name: diethyl-[3-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]propyl]-methylazanium bromide Traditional Name: 3-[benziloyl(methyl)amino]propyl-diethyl-methyl-ammonium bromide Formula: C23H33BrN2O2 MolecularWeight: 449.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N2O2.BrH/c1-5-25(4,6-2)19-13-18-24(3)22(26)23(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;/h7-12,14-17,27H,5-6,13,18-19H2,1-4H3;1H/q+1;/p-1