(2S,4R)-4-(4-fluorophenyl)sulfanyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-isopropyl-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(4-fluorophenyl)thio]-1-propan-2-yl-N-(3-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-(4-fluorophenyl)sulfanyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(4-fluorophenyl)thio]-1-isopropyl-N-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC(CC1C(=O)NCC2=CN=CC=C2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[NH+]1C[C@@H](C[C@H]1C(=O)NCC2=CN=CC=C2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3OS/c1-14(2)24-13-18(26-17-7-5-16(21)6-8-17)10-19(24)20(25)23-12-15-4-3-9-22-11-15/h3-9,11,14,18-19H,10,12-13H2,1-2H3,(H,23,25)/p+1/t18-,19+/m1/s1