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

Systemtic Name: 4-methyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NNC1=S)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c1-18-14(16-17-15(18)20)13-7-9-19(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)/p+1