diethyl-methyl-[2-(2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoyl)oxyethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-(2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoyl)oxyethyl]azanium bromide Openeye Name: diethyl-[2-[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxyethyl]-methyl-ammonium bromide CAS Name: diethyl-[2-(2-hydroxy-1-oxo-2-phenyl-2-thiophen-2-ylethoxy)ethyl]-methylammonium bromide IUPAC Name: diethyl-[2-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)oxyethyl]-methylazanium bromide Traditional Name: diethyl-[2-[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxyethyl]-methyl-ammonium bromide Formula: C19H26BrNO3S MolecularWeight: 428.38364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.[Br-]

InChI

InChI=1S/C19H26NO3S.BrH/c1-4-20(3,5-2)13-14-23-18(21)19(22,17-12-9-15-24-17)16-10-7-6-8-11-16;/h6-12,15,22H,4-5,13-14H2,1-3H3;1H/q+1;/p-1