5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium bromide

Systemtic Name: 5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium bromide Openeye Name: 2-benzyl-5-phenyl-1,3-benzoxazol-3-ium bromide CAS Name: 5-phenyl-2-(phenylmethyl)-1,3-benzoxazol-3-ium bromide IUPAC Name: 2-benzyl-5-phenyl-1,3-benzoxazol-3-ium bromide Traditional Name: 2-benzyl-5-phenyl-1,3-benzoxazol-3-ium bromide Formula: C20H16BrNO MolecularWeight: 366.25114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[NH+]C3=C(O2)C=CC(=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=[NH+]C3=C(O2)C=CC(=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H15NO.BrH/c1-3-7-15(8-4-1)13-20-21-18-14-17(11-12-19(18)22-20)16-9-5-2-6-10-16;/h1-12,14H,13H2;1H