2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C21H25N5OS/c28-21-25(23-19(14-5-6-14)26(21)16-7-8-16)13-24-11-9-15(10-12-24)20-22-17-3-1-2-4-18(17)27-20/h1-4,14-16H,5-13H2/p+1