1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[(3,4-dimethoxy-2-nitrophenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[(3,4-dimethoxy-2-nitrophenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(3,4-dimethoxy-2-nitro-benzyl)-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C19H21IN2O4 MolecularWeight: 470.278052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2CC1)CC3=C(C(=C(C=C3)OC)OC)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=[14C](C2=CC=CC=C2CC1)CC3=C(C(=C(C=C3)OC)OC)[N+](=O)[O-].[I-]

InChI

InChI=1S/C19H21N2O4.HI/c1-20-11-10-13-6-4-5-7-15(13)16(20)12-14-8-9-17(24-2)19(25-3)18(14)21(22)23;/h4-9H,10-12H2,1-3H3;1H/q+1;/p-1/i16+2;