2-(naphthalen-1-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-(naphthalen-1-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-(1-naphthylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-(1-naphthalenylmethylthio)-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-(naphthalen-1-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-(1-naphthylmethylthio)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Formula: C18H20N3OS+ MolecularWeight: 326.4359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C18H19N3OS/c1-2-7-16-13(4-1)5-3-6-15(16)12-23-18-21-20-17(22-18)14-8-10-19-11-9-14/h1-7,14,19H,8-12H2/p+1