5-methoxy-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole

Systemtic Name: 5-methoxy-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Openeye Name: 5-methoxy-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole CAS Name: 5-methoxy-2-(1-methyl-5-pyrimidin-1-iumyl)-1,3-benzoxazole IUPAC Name: 5-methoxy-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Traditional Name: 5-methoxy-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Formula: C13H12N3O2+ MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)OC

Isomeric SMILES

C[N+]1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)OC

InChI

InChI=1S/C13H12N3O2/c1-16-7-9(6-14-8-16)13-15-11-5-10(17-2)3-4-12(11)18-13/h3-8H,1-2H3/q+1