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

Systemtic Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Openeye Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole CAS Name: 5-methyl-2-(1-methyl-5-pyrimidin-1-iumyl)-1,3-benzoxazole IUPAC Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Traditional Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole Formula: C13H12N3O+ MolecularWeight: 226.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CN=C[N+](=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CN=C[N+](=C3)C

InChI

InChI=1S/C13H12N3O/c1-9-3-4-12-11(5-9)15-13(17-12)10-6-14-8-16(2)7-10/h3-8H,1-2H3/q+1