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

Systemtic Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-(3-pyridinylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-cyclopropyl-4-(4-fluorophenyl)sulfanyl-1-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-cyclopropyl-4-[(4-fluorophenyl)thio]-1-(3-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC(C[NH+]2CC3=CN=CC=C3)SC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=O)[C@@H]2C[C@H](C[NH+]2CC3=CN=CC=C3)SC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN3OS/c21-15-3-7-17(8-4-15)26-18-10-19(20(25)23-16-5-6-16)24(13-18)12-14-2-1-9-22-11-14/h1-4,7-9,11,16,18-19H,5-6,10,12-13H2,(H,23,25)/p+1/t18-,19+/m1/s1