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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O3S/c1-2-13-5-3-4-8-19(13)10-20-17(24)23-16(18-20)12-6-7-14-15(9-12)22-11-21-14/h6-7,9,13H,2-5,8,10-11H2,1H3/p+1/t13-/m1/s1