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

Systemtic Name: 5-(2-methoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2-methoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-methoxyphenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2-methoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2-methoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H19N3O2S/c1-19-13-8-4-3-7-12(13)14-16-18(15(21)20-14)11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3/p+1