[(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]azanium

Systemtic Name: [(4R)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]azanium Openeye Name: [(4R)-8-fluorothiochroman-4-yl]-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: [(4R)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium Traditional Name: [(4R)-8-fluorothiochroman-4-yl]-[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl]ammonium Formula: C21H24FN2OS+ MolecularWeight: 371.491463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH2+]C3CCSC4=C3C=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C2=CC=CC=C2)[NH2+][C@@H]3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C21H23FN2OS/c22-17-10-6-9-16-18(11-14-26-20(16)17)23-19(15-7-2-1-3-8-15)21(25)24-12-4-5-13-24/h1-3,6-10,18-19,23H,4-5,11-14H2/p+1/t18-,19+/m1/s1