3-(pyridin-1-ium-4-ylmethyl)-2,1-benzoxazole bromide

Systemtic Name: 3-(pyridin-1-ium-4-ylmethyl)-2,1-benzoxazole bromide Openeye Name: 3-(pyridin-1-ium-4-ylmethyl)-2,1-benzoxazole bromide CAS Name: 3-(4-pyridin-1-iumylmethyl)-2,1-benzoxazole bromide IUPAC Name: 3-(pyridin-1-ium-4-ylmethyl)-2,1-benzoxazole bromide Traditional Name: 3-(pyridin-1-ium-4-ylmethyl)anthranil bromide Formula: C13H11BrN2O MolecularWeight: 291.14324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(ON=C2C=C1)CC3=CC=[NH+]C=C3.[Br-]

Isomeric SMILES

C1=CC2=C(ON=C2C=C1)CC3=CC=[NH+]C=C3.[Br-]

InChI

InChI=1S/C13H10N2O.BrH/c1-2-4-12-11(3-1)13(16-15-12)9-10-5-7-14-8-6-10;/h1-8H,9H2;1H