3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C20H30N3O5S+ MolecularWeight: 424.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C20H29N3O5S/c1-4-25-16-11-14(12-17(26-5-2)18(16)27-6-3)19-21-23(20(29)28-19)13-22-9-7-15(24)8-10-22/h11-12,15,24H,4-10,13H2,1-3H3/p+1