2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C17H24N3O2S+ MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(O2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(O2)C[NH+]3CCCC3)C

InChI

InChI=1S/C17H23N3O2S/c1-13-9-14(2)11-15(10-13)21-7-8-23-17-19-18-16(22-17)12-20-5-3-4-6-20/h9-11H,3-8,12H2,1-2H3/p+1