3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C17H25N5O2S+2 MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NNC1=S)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H23N5O2S/c1-2-22-16(18-19-17(22)25)11-21-7-5-20(6-8-21)10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,19,25)/p+2