5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N3O3S/c22-15-18(9-17-6-2-1-3-7-17)16-14(21-15)11-4-5-12-13(8-11)20-10-19-12/h4-5,8H,1-3,6-7,9-10H2/p+1