N-(4-nitrophenyl)-2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[4-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-ethanamide Openeye Name: N-(4-nitrophenyl)-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-acetamide CAS Name: N-(4-nitrophenyl)-2-[[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyranyl]oxy]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[4-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxyacetamide Traditional Name: 2-[4-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-3-yl]oxy-N-(4-nitrophenyl)acetamide Formula: C23H22N3O6+ MolecularWeight: 436.43728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6/c27-21-11-20(13-25-10-9-16-3-1-2-4-17(16)12-25)31-14-22(21)32-15-23(28)24-18-5-7-19(8-6-18)26(29)30/h1-8,11,14H,9-10,12-13,15H2,(H,24,28)/p+1