6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23N2O4+ MolecularWeight: 343.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N2O4/c1-24-18-11-15-8-10-20(13-16(15)12-19(18)25-2)9-7-14-3-5-17(6-4-14)21(22)23/h3-6,11-12H,7-10,13H2,1-2H3/p+1