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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-[(2S)-pyrrolidin-1-ium-2-yl]-5-(veratrylthio)-1,3,4-oxadiazole Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3CCC[NH2+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)[C@@H]3CCC[NH2+]3)OC

InChI

InChI=1S/C15H19N3O3S/c1-19-12-6-5-10(8-13(12)20-2)9-22-15-18-17-14(21-15)11-4-3-7-16-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3/p+1/t11-/m0/s1