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

Systemtic Name: 5-(4-ethoxyphenyl)-3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-ethoxyphenyl)-3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-p-phenetyl-1,3,4-oxadiazole-2-thione Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C16H21N3O3S/c1-2-21-14-7-5-12(6-8-14)15-17-19(16(23)22-15)11-18-9-3-4-13(20)10-18/h5-8,13,20H,2-4,9-11H2,1H3/p+1/t13-/m1/s1