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

Systemtic Name: trimethyl-[2-[(2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoyl)-phenyl-amino]ethyl]azanium bromide Openeye Name: 2-(N-[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]anilino)ethyl-trimethyl-ammonium bromide CAS Name: 2-(N-(2-hydroxy-1-oxo-2-phenyl-2-thiophen-2-ylethyl)anilino)ethyl-trimethylammonium bromide IUPAC Name: 2-(N-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)anilino)ethyl-trimethylazanium bromide Traditional Name: 2-(N-[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]anilino)ethyl-trimethyl-ammonium bromide Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O2S.BrH/c1-25(2,3)17-16-24(20-13-8-5-9-14-20)22(26)23(27,21-15-10-18-28-21)19-11-6-4-7-12-19;/h4-15,18,27H,16-17H2,1-3H3;1H/q+1;/p-1