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

Systemtic Name: 5-(4-ethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-ethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-ethoxyphenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-ethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-5-p-phenetyl-1,3,4-oxadiazole-2-thione Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-2-20-14-8-6-13(7-9-14)15-17-19(16(22)21-15)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3/p+1