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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H27N5O2S+2 MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N5O2S/c1-3-6-23-15(2)20-24(19(23)27)13-22-9-7-21(8-10-22)12-16-4-5-17-18(11-16)26-14-25-17/h3-5,11H,1,6-10,12-14H2,2H3/p+2