4-Amino-7-oxo-1,3,5-cycloheptatrien-1-aminium chloride

ChemSpider ID: 33841
Molecular Formula: C₇H₉ClN₂O
Average mass: 172.612198 Da
Monoisotopic mass: 172.040344 Da
Systematic name

4-Amino-7-oxo-1,3,5-cycloheptatrien-1-aminium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C\1/C=C\C(=C/C=C/1[NH3+])N Copied

Std. InChI:

InChI=1S/C7H8N2O.ClH/c8-5-1-3-6(9)7(10)4-2-5;/h1-4H,8H2,(H2,9,10);1H Copied

Std. InChIKey:

RDYYAVXCQKBLOM-UHFFFAOYSA-N Copied
Cite this record
CSID:33841, http://www.chemspider.com/Chemical-Structure.33841.html (accessed 05:52, May 19, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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