2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(4-nitrophenyl)acetamide Formula: C25H26N3O5+ MolecularWeight: 448.49104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O5/c1-32-22-14-18-12-13-27(16-24(29)26-19-8-10-20(11-9-19)28(30)31)25(17-6-4-3-5-7-17)21(18)15-23(22)33-2/h3-11,14-15,25H,12-13,16H2,1-2H3,(H,26,29)/p+1/t25-/m1/s1