5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-phenyl-isoxazole-3-carboxamide CAS Name: 5-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-phenyl-isoxazole-3-carboxamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NOC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NOC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-22(20-15-21(27-24-20)18-9-5-2-6-10-18)23-19-11-13-25(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,26)/p+1