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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(2,4-dimethoxyphenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C16H21N3O3S/c1-20-12-6-7-13(14(10-12)21-2)15-17-19(16(23)22-15)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3/p+1