2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-[(E)-cinnamyl]sulfanyl-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-[[(E)-cinnamyl]thio]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Formula: C16H20N3OS+ MolecularWeight: 302.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NN=C(O2)SCC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1C2=NN=C(O2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H19N3OS/c1-2-5-13(6-3-1)7-4-12-21-16-19-18-15(20-16)14-8-10-17-11-9-14/h1-7,14,17H,8-12H2/p+1/b7-4+