3-(morpholin-4-ium-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(4-morpholin-4-iumylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C16H22N3O5S+ MolecularWeight: 368.42798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)C[NH+]3CCOCC3

InChI

InChI=1S/C16H21N3O5S/c1-20-12-8-11(9-13(21-2)14(12)22-3)15-17-19(16(25)24-15)10-18-4-6-23-7-5-18/h8-9H,4-7,10H2,1-3H3/p+1