6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C17H19ClN2O4 MolecularWeight: 350.79676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C17H18N2O4.ClH/c1-22-15-9-11-6-7-18-17(14(11)10-16(15)23-2)12-4-3-5-13(8-12)19(20)21;/h3-5,8-10,17-18H,6-7H2,1-2H3;1H