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

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azocan-1-iumylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O3S/c24-17-20(11-19-8-4-2-1-3-5-9-19)18-16(23-17)13-6-7-14-15(10-13)22-12-21-14/h6-7,10H,1-5,8-9,11-12H2/p+1