3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCCC3C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCC[C@@H]3C4=CC=CS4)OC

InChI

InChI=1S/C19H21N3O3S/c1-23-15-8-7-13(11-16(15)24-2)19-20-18(25-21-19)12-22-9-3-5-14(22)17-6-4-10-26-17/h4,6-8,10-11,14H,3,5,9,12H2,1-2H3/p+1/t14-/m1/s1