N-[4-nitro-2-(phenylcarbonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[4-nitro-2-(phenylcarbonyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-benzoyl-4-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-benzoyl-4-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C24H22N3O4+ MolecularWeight: 416.44918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4/c28-23(16-26-13-12-17-6-4-5-9-19(17)15-26)25-22-11-10-20(27(30)31)14-21(22)24(29)18-7-2-1-3-8-18/h1-11,14H,12-13,15-16H2,(H,25,28)/p+1