2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 2-methyl-7-nitro-1-(3-nitrophenyl)-3,4-dihydroisoquinolin-2-ium iodide Formula: C16H14IN3O4 MolecularWeight: 439.20453

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(CC1)C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=C(C2=C(CC1)C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H14N3O4.HI/c1-17-8-7-11-5-6-14(19(22)23)10-15(11)16(17)12-3-2-4-13(9-12)18(20)21;/h2-6,9-10H,7-8H2,1H3;1H/q+1;/p-1