2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H27N5OS+2 MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H25N5OS/c1-2-6-23-14-20-24(19(23)26)15-22-9-7-21(8-10-22)13-16-3-4-18-17(12-16)5-11-25-18/h2-4,12,14H,1,5-11,13,15H2/p+2