5-(oxan-2-yl)-1H-indazol-1-ium-1-carboxylic acid iodide

Systemtic Name: 5-(oxan-2-yl)-1H-indazol-1-ium-1-carboxylic acid iodide Openeye Name: 5-tetrahydropyran-2-yl-1H-indazol-1-ium-1-carboxylic acid iodide CAS Name: 5-(2-oxanyl)-1H-indazol-1-ium-1-carboxylic acid iodide IUPAC Name: 5-(oxan-2-yl)-1H-indazol-1-ium-1-carboxylic acid iodide Traditional Name: 5-tetrahydropyran-2-yl-1H-indazol-1-ium-1-carboxylic acid iodide Formula: C13H15IN2O3 MolecularWeight: 374.17427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2=CC3=C(C=C2)[NH+](N=C3)C(=O)O.[I-]

Isomeric SMILES

C1CCOC(C1)C2=CC3=C(C=C2)[NH+](N=C3)C(=O)O.[I-]

InChI

InChI=1S/C13H14N2O3.HI/c16-13(17)15-11-5-4-9(7-10(11)8-14-15)12-3-1-2-6-18-12;/h4-5,7-8,12H,1-3,6H2,(H,16,17);1H