2-[[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1-azepan-1-iumylmethyl)-1-piperidin-1-iumyl]methyl]-5-(2-furanyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione Formula: C20H33N5OS+2 MolecularWeight: 391.57392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C[NH+]3CCCCCC3)C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C[NH+]3CCCCCC3)C4=CC=CO4

InChI

InChI=1S/C20H31N5OS/c1-22-19(18-7-6-14-26-18)21-25(20(22)27)16-24-12-8-17(9-13-24)15-23-10-4-2-3-5-11-23/h6-7,14,17H,2-5,8-13,15-16H2,1H3/p+2