3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylazanium dichloride

Systemtic Name: 3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylazanium dichloride Openeye Name: 3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylammonium dichloride CAS Name: 3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylammonium dichloride IUPAC Name: 3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylazanium dichloride Traditional Name: 3-(2-azido-1H-imidazol-3-ium-5-yl)prop-2-ynylammonium dichloride Formula: C6H8Cl2N6 MolecularWeight: 235.07392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=[NH+]1)N=[N+]=[N-])C#CC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=C(NC(=[NH+]1)N=[N+]=[N-])C#CC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C6H6N6.2ClH/c7-3-1-2-5-4-9-6(10-5)11-12-8;;/h4H,3,7H2,(H,9,10);2*1H