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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C15H20N3O4S+ MolecularWeight: 338.402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3)OC

InChI

InChI=1S/C15H19N3O4S/c1-19-12-4-3-11(9-13(12)20-2)14-16-18(15(23)22-14)10-17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3/p+1