4-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4S/c1-2-19-15(14-9-5-3-6-10-14)17-20(16(19)21)13-18-11-7-4-8-12-18/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3/p+1