5-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-methylphenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole-2-thione Formula: C15H20N3OS+ MolecularWeight: 290.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H19N3OS/c1-12-5-7-13(8-6-12)14-16-18(15(20)19-14)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3/p+1