(1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide CAS Name: (1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenylmethanol bromide Traditional Name: (1-phenethyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-diphenyl-methanol bromide Formula: C27H30BrNO MolecularWeight: 464.4372

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H30NO.BrH/c29-27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26-17-20-28(22-26,21-18-26)19-16-23-10-4-1-5-11-23;/h1-15,29H,16-22H2;1H/q+1;/p-1