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

Systemtic Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Openeye Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide CAS Name: 3-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-imidazolecarboxamide IUPAC Name: 3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide Traditional Name: 3-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]imidazole-4-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O/c27-22(21-15-23-17-26(21)20-10-2-1-3-11-20)24-14-18-8-4-5-9-19(18)16-25-12-6-7-13-25/h1-5,8-11,15,17H,6-7,12-14,16H2,(H,24,27)/p+1