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

Systemtic Name: diethyl-methyl-[2-[methyl-(2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoyl)amino]ethyl]azanium bromide Openeye Name: diethyl-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]-methyl-amino]ethyl]-methyl-ammonium bromide CAS Name: diethyl-[2-[(2-hydroxy-1-oxo-2-phenyl-2-thiophen-2-ylethyl)-methylamino]ethyl]-methylammonium bromide IUPAC Name: diethyl-[2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-methylamino]ethyl]-methylazanium bromide Traditional Name: diethyl-[2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]-methyl-amino]ethyl]-methyl-ammonium bromide Formula: C20H29BrN2O2S MolecularWeight: 441.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O2S.BrH/c1-5-22(4,6-2)15-14-21(3)19(23)20(24,18-13-10-16-25-18)17-11-8-7-9-12-17;/h7-13,16,24H,5-6,14-15H2,1-4H3;1H/q+1;/p-1