4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(4-piperidin-1-iumyl)-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C13H16N3O2+ MolecularWeight: 246.28504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NC(=C3C=CC(=O)C=C3)NO2

Isomeric SMILES

C1C[NH2+]CCC1C2=NC(=C3C=CC(=O)C=C3)NO2

InChI

InChI=1S/C13H15N3O2/c17-11-3-1-9(2-4-11)12-15-13(18-16-12)10-5-7-14-8-6-10/h1-4,10,14,16H,5-8H2/p+1