3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C16H17N2S3+ MolecularWeight: 333.51458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3SC2=S)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3SC2=S)C4=CC=CS4

InChI

InChI=1S/C16H16N2S3/c19-16-18(13-5-1-2-7-15(13)21-16)11-17-9-3-6-12(17)14-8-4-10-20-14/h1-2,4-5,7-8,10,12H,3,6,9,11H2/p+1/t12-/m1/s1