3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]imidazole-4-carboxamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c23-19-7-9-20(10-8-19)27-16-24-14-21(27)22(28)25-13-17-5-1-2-6-18(17)15-26-11-3-4-12-26/h1-2,5-10,14,16H,3-4,11-13,15H2,(H,25,28)/p+1