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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=CN=CN4

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=CN=CN4

InChI

InChI=1S/C20H21FN4OS/c1-13-4-5-14(21)9-16(13)24-20(26)19-7-6-18(27-19)17-3-2-8-25(17)11-15-10-22-12-23-15/h4-7,9-10,12,17H,2-3,8,11H2,1H3,(H,22,23)(H,24,26)/p+1/t17-/m1/s1