2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H23N5O2S/c1-19-12-18-22(17(19)25)13-21-6-4-20(5-7-21)11-14-2-3-15-16(10-14)24-9-8-23-15/h2-3,10,12H,4-9,11,13H2,1H3/p+1