N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(1-phenylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C23H24N3O2+ MolecularWeight: 374.45556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NC4(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NC4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N3O2/c27-22(24-23(11-12-23)19-8-2-1-3-9-19)21-14-20(28-25-21)16-26-13-10-17-6-4-5-7-18(17)15-26/h1-9,14H,10-13,15-16H2,(H,24,27)/p+1