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

Systemtic Name: 6-chloranyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C16H16ClN2O2S+ MolecularWeight: 335.82844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

InChI

InChI=1S/C16H15ClN2O2S/c17-11-5-6-12-14(9-11)21-16(20)19(12)10-18-7-1-3-13(18)15-4-2-8-22-15/h2,4-6,8-9,13H,1,3,7,10H2/p+1/t13-/m1/s1