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

Systemtic Name: dimethyl-[2-[methyl-(2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoyl)amino]ethyl]-phenethyl-azanium bromide Openeye Name: 2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]-methyl-amino]ethyl-dimethyl-phenethyl-ammonium bromide CAS Name: 2-[(2-hydroxy-1-oxo-2-phenyl-2-thiophen-2-ylethyl)-methylamino]ethyl-dimethyl-phenethylammonium bromide IUPAC Name: 2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-methylamino]ethyl-dimethyl-phenethylazanium bromide Traditional Name: 2-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]-methyl-amino]ethyl-dimethyl-phenethyl-ammonium bromide Formula: C25H31BrN2O2S MolecularWeight: 503.49484

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[N+](C)(C)CCC1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

Isomeric SMILES

CN(CC[N+](C)(C)CCC1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

InChI

InChI=1S/C25H31N2O2S.BrH/c1-26(17-19-27(2,3)18-16-21-11-6-4-7-12-21)24(28)25(29,23-15-10-20-30-23)22-13-8-5-9-14-22;/h4-15,20,29H,16-19H2,1-3H3;1H/q+1;/p-1