(2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(4-oxidanylidenechromen-3-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(4-oxidanylidenechromen-3-yl)methyl]-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-N-isopropyl-1-[(4-oxochromen-3-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(4-fluorophenyl)thio]-1-[(4-oxo-1-benzopyran-3-yl)methyl]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-[(4-oxochromen-3-yl)methyl]-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(4-fluorophenyl)thio]-N-isopropyl-1-[(4-ketochromen-3-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C24H26FN2O3S+ MolecularWeight: 441.538243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1CC2=COC3=CC=CC=C3C2=O)SC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1CC2=COC3=CC=CC=C3C2=O)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN2O3S/c1-15(2)26-24(29)21-11-19(31-18-9-7-17(25)8-10-18)13-27(21)12-16-14-30-22-6-4-3-5-20(22)23(16)28/h3-10,14-15,19,21H,11-13H2,1-2H3,(H,26,29)/p+1/t19-,21+/m1/s1