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

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H21N5OS/c1-2-21-11-18-22(17(21)24)12-20-9-7-13(8-10-20)16-19-14-5-3-4-6-15(14)23-16/h3-6,11,13H,2,7-10,12H2,1H3/p+1