3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NOC(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NOC(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3OS/c1-2-7-15(8-3-1)19-13-16(23-25-19)14-24-12-6-10-18(24)21-22-17-9-4-5-11-20(17)26-21/h1-5,7-9,11,13,18H,6,10,12,14H2/p+1/t18-/m1/s1