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

Systemtic Name: 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isoxazole-4-carboxamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O2/c1-17-21(22(25-28-17)18-9-3-2-4-10-18)23(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1