4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C21H19N2O3S+ MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N2O3S/c24-14-7-8-15-13(10-20(25)26-18(15)11-14)12-23-9-3-5-17(23)21-22-16-4-1-2-6-19(16)27-21/h1-2,4,6-8,10-11,17,24H,3,5,9,12H2/p+1/t17-/m1/s1