N-(2-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(2-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(2-fluorophenyl)-5-[(2R)-1-(3-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(2-fluorophenyl)-5-[(2R)-1-(3-pyridinylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(2-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(2-fluorophenyl)-5-[(2R)-1-(3-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H21FN3OS+ MolecularWeight: 382.474343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CN=CC=C2)C3=CC=C(S3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CN=CC=C2)C3=CC=C(S3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3OS/c22-16-6-1-2-7-17(16)24-21(26)20-10-9-19(27-20)18-8-4-12-25(18)14-15-5-3-11-23-13-15/h1-3,5-7,9-11,13,18H,4,8,12,14H2,(H,24,26)/p+1/t18-/m1/s1