1-oxidanidyl-2-prop-2-ynyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-2-prop-2-ynyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-2-prop-2-ynyl-pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-2-prop-2-ynyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-2-prop-2-ynylpyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-2-propargyl-pyridin-1-ium-3-carboxamide Formula: C9H8N2O2 MolecularWeight: 176.17202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=C(C=CC=[N+]1[O-])C(=O)N

Isomeric SMILES

C#CCC1=C(C=CC=[N+]1[O-])C(=O)N

InChI

InChI=1S/C9H8N2O2/c1-2-4-8-7(9(10)12)5-3-6-11(8)13/h1,3,5-6H,4H2,(H2,10,12)