3-(dicyclohexylamino)-2-(C-pyridin-3-ylcarbonimidoyl)-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-(dicyclohexylamino)-2-(C-pyridin-3-ylcarbonimidoyl)-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-(dicyclohexylamino)-2-(pyridine-3-carboximidoyl)oxadiazol-3-ium-5-one CAS Name: 3-(dicyclohexylamino)-2-[imino(3-pyridinyl)methyl]-5-oxadiazol-3-iumone IUPAC Name: 3-(dicyclohexylamino)-2-(pyridine-3-carboximidoyl)oxadiazol-3-ium-5-one Traditional Name: 3-(dicyclohexylamino)-2-(pyridine-3-carboximidoyl)oxadiazol-3-ium-5-one Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)[N+]3=CC(=O)ON3C(=N)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)[N+]3=CC(=O)ON3C(=N)C4=CN=CC=C4

InChI

InChI=1S/C20H28N5O2/c21-20(16-8-7-13-22-14-16)25-23(15-19(26)27-25)24(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-15,17-18,21H,1-6,9-12H2/q+1