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

Systemtic Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(4-nitrobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21N2O4+ MolecularWeight: 329.37034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O4/c1-23-17-9-14-7-8-19(12-15(14)10-18(17)24-2)11-13-3-5-16(6-4-13)20(21)22/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1