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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

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