(3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylidene)-1,2,4-triazolidin-1-ium chloride

Systemtic Name: (3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylidene)-1,2,4-triazolidin-1-ium chloride Openeye Name: (3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylene)-1,2,4-triazolidin-1-ium chloride CAS Name: (3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylidene)-1,2,4-triazolidin-1-ium chloride IUPAC Name: (3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylidene)-1,2,4-triazolidin-1-ium chloride Traditional Name: (3Z)-1-hex-5-ynyl-4-methyl-3-(nitrosomethylene)-1,2,4-triazolidin-1-ium chloride Formula: C10H17ClN4O MolecularWeight: 244.72118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[NH+](NC1=CN=O)CCCCC#C.[Cl-]

Isomeric SMILES

CN\1C[NH+](N/C1=C\N=O)CCCCC#C.[Cl-]

InChI

InChI=1S/C10H16N4O.ClH/c1-3-4-5-6-7-14-9-13(2)10(12-14)8-11-15;/h1,8,12H,4-7,9H2,2H3;1H/b10-8+;