3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H17N3O2S/c23-19-22(14-7-2-3-9-16(14)24-19)12-21-11-5-8-15(21)18-20-13-6-1-4-10-17(13)25-18/h1-4,6-7,9-10,15H,5,8,11-12H2/p+1/t15-/m1/s1