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

Systemtic Name: 5-(phenylmethyl)-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-benzyl-3-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(phenylmethyl)-3-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-benzyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-benzyl-3-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H19N3OS2/c23-18-21(19-17(22-18)12-14-6-2-1-3-7-14)13-20-10-4-8-15(20)16-9-5-11-24-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2/p+1/t15-/m0/s1