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

Systemtic Name: 3-(4-fluorophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]imidazole-4-carboxamide Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN=CN3C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN=CN3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O2/c23-19-5-7-20(8-6-19)27-16-24-14-21(27)22(28)25-13-17-3-1-2-4-18(17)15-26-9-11-29-12-10-26/h1-8,14,16H,9-13,15H2,(H,25,28)/p+1