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

Systemtic Name: 5-(3,5-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,5-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,5-dimethoxyphenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,5-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,5-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(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-20-13-8-12(9-14(10-13)21-2)15-17-19(16(23)22-15)11-18-6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3/p+1