4-phenyl-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H24N4S/c26-21-23-22-20(25(21)19-9-5-2-6-10-19)16-24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2,(H,23,26)