(2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride

Systemtic Name: (2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Openeye Name: (2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride CAS Name: (2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride IUPAC Name: (2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Traditional Name: (2E)-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=C2NC3=CC=CC=C3O2)C=NC1.[Cl-]

Isomeric SMILES

C[NH+]1C/C(=C\2/NC3=CC=CC=C3O2)/C=NC1.[Cl-]

InChI

InChI=1S/C12H13N3O.ClH/c1-15-7-9(6-13-8-15)12-14-10-4-2-3-5-11(10)16-12;/h2-6,14H,7-8H2,1H3;1H/b12-9-;