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

Systemtic Name: 5-chloranyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Openeye Name: 5-chloro-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole CAS Name: 5-chloro-2-(1-methyl-5-pyrimidin-1-iumyl)-1,3-benzoxazole IUPAC Name: 5-chloro-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Traditional Name: 5-chloro-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Formula: C12H9ClN3O+ MolecularWeight: 246.67236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN3O/c1-16-6-8(5-14-7-16)12-15-10-4-9(13)2-3-11(10)17-12/h2-7H,1H3/q+1