2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanamide Openeye Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide CAS Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide IUPAC Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide Traditional Name: 2-[6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetamide Formula: C19H22N3O5+ MolecularWeight: 372.39508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[N+](CCC2=C1)(CC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[N+](CCC2=C1)(CC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O5/c1-26-17-9-13-7-8-22(12-19(20)23,11-14(13)10-18(17)27-2)16-5-3-15(4-6-16)21(24)25/h3-6,9-10H,7-8,11-12H2,1-2H3,(H-,20,23)/p+1