N-[(4-fluorophenyl)methyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H22FN4OS+ MolecularWeight: 385.478283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC=CN2)C3=CC=C(S3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC=CN2)C3=CC=C(S3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4OS/c21-15-5-3-14(4-6-15)12-24-20(26)18-8-7-17(27-18)16-2-1-11-25(16)13-19-22-9-10-23-19/h3-10,16H,1-2,11-13H2,(H,22,23)(H,24,26)/p+1/t16-/m1/s1