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

Systemtic Name: (2E)-5-chloranyl-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Openeye Name: (2E)-5-chloro-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride CAS Name: (2E)-5-chloro-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride IUPAC Name: (2E)-5-chloro-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Traditional Name: (2E)-5-chloro-2-(1-methyl-2,6-dihydro-1H-pyrimidin-1-ium-5-ylidene)-3H-1,3-benzoxazole chloride Formula: C12H13Cl2N3O MolecularWeight: 286.15712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=C2NC3=C(O2)C=CC(=C3)Cl)C=NC1.[Cl-]

Isomeric SMILES

C[NH+]1C/C(=C\2/NC3=C(O2)C=CC(=C3)Cl)/C=NC1.[Cl-]

InChI

InChI=1S/C12H12ClN3O.ClH/c1-16-6-8(5-14-7-16)12-15-10-4-9(13)2-3-11(10)17-12;/h2-5,15H,6-7H2,1H3;1H/b12-8-;