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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-5-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-5-[[(2S)-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=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S/c1-23-14-6-8-15(9-7-14)24-13-18-20-19(25-21-18)12-22-10-2-4-16(22)17-5-3-11-26-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3/p+1/t16-/m0/s1