(2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(2-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H19N3O3/c1-13(20-11-10-14-6-2-3-7-15(14)12-20)18(22)19-16-8-4-5-9-17(16)21(23)24/h4-5,8-13H,2-3,6-7H2,1H3/p+1/t13-/m1/s1