2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-piperidin-1-ium-4-yl-5-(veratrylthio)-1,3,4-oxadiazole Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3CC[NH2+]CC3)OC

InChI

InChI=1S/C16H21N3O3S/c1-20-13-4-3-11(9-14(13)21-2)10-23-16-19-18-15(22-16)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8,10H2,1-2H3/p+1