3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CC=CS4

InChI

InChI=1S/C16H16N2O2S/c19-16-18(12-5-1-2-7-14(12)20-16)11-17-9-3-6-13(17)15-8-4-10-21-15/h1-2,4-5,7-8,10,13H,3,6,9,11H2/p+1/t13-/m1/s1