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

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dimethoxyphenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dimethoxyphenyl)-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-dimethoxyphenyl)-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCC(CC3)O)OC

InChI

InChI=1S/C16H21N3O4S/c1-21-13-7-11(8-14(9-13)22-2)15-17-19(16(24)23-15)10-18-5-3-12(20)4-6-18/h7-9,12,20H,3-6,10H2,1-2H3/p+1