(2Z)-2-[azanyl(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol iodide

Systemtic Name: (2Z)-2-[azanyl(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol iodide Openeye Name: (2Z)-2-[amino(phenyl)methylene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol iodide CAS Name: (2Z)-2-[amino(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol iodide IUPAC Name: (2Z)-2-[amino(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol iodide Traditional Name: (2Z)-2-[amino(phenyl)methylene]-3-ethoxy-5-methyl-2-pyrazolin-2-ium-3-ol iodide Formula: C13H18IN3O2 MolecularWeight: 375.20539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC(=N[N+]1=C(C2=CC=CC=C2)N)C)O.[I-]

Isomeric SMILES

CCOC\1(CC(=N/[N+]1=C(/C2=CC=CC=C2)\N)C)O.[I-]

InChI

InChI=1S/C13H17N3O2.HI/c1-3-18-13(17)9-10(2)15-16(13)12(14)11-7-5-4-6-8-11;/h4-8,14,17H,3,9H2,1-2H3;1H