2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C25H26BrNO2 MolecularWeight: 452.38344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=CC=C2)O)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=CC=C2)O)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H25NO2.BrH/c27-24(22-13-11-21(12-14-22)20-7-3-1-4-8-20)19-26-17-15-25(28,16-18-26)23-9-5-2-6-10-23;/h1-14,28H,15-19H2;1H