4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile Formula: C19H17FN3S+ MolecularWeight: 338.421783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=C(C=C2)C#N)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=C(C=C2)C#N)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16FN3S/c20-15-10-13(11-21)7-8-14(15)12-23-9-3-5-17(23)19-22-16-4-1-2-6-18(16)24-19/h1-2,4,6-8,10,17H,3,5,9,12H2/p+1/t17-/m1/s1