5-(1,3-benzodioxol-5-yl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C15H20N4O3S+2 MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H18N4O3S/c1-17-4-6-18(7-5-17)9-19-15(23)22-14(16-19)11-2-3-12-13(8-11)21-10-20-12/h2-3,8H,4-7,9-10H2,1H3/p+2