2-oxidanidyl-4-phenyl-3-piperidin-1-ium-4-ylsulfanyl-1,2,5-oxadiazol-2-ium

Systemtic Name: 2-oxidanidyl-4-phenyl-3-piperidin-1-ium-4-ylsulfanyl-1,2,5-oxadiazol-2-ium Openeye Name: 2-oxido-4-phenyl-3-piperidin-1-ium-4-ylsulfanyl-1,2,5-oxadiazol-2-ium CAS Name: 2-oxido-4-phenyl-3-(4-piperidin-1-iumylthio)-1,2,5-oxadiazol-2-ium IUPAC Name: 2-oxido-4-phenyl-3-piperidin-1-ium-4-ylsulfanyl-1,2,5-oxadiazol-2-ium Traditional Name: 2-oxido-4-phenyl-3-(piperidin-1-ium-4-ylthio)furazan-2-ium Formula: C13H16N3O2S+ MolecularWeight: 278.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=[N+](ON=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

C1C[NH2+]CCC1SC2=[N+](ON=C2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C13H15N3O2S/c17-16-13(19-11-6-8-14-9-7-11)12(15-18-16)10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/p+1