2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide

Systemtic Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide Openeye Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide CAS Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide IUPAC Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide Traditional Name: 2,4,4-trimethyl-7-nitro-3H-isoquinolin-2-ium iodide Formula: C12H15IN2O2 MolecularWeight: 346.16417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](=CC2=C1C=CC(=C2)[N+](=O)[O-])C)C.[I-]

Isomeric SMILES

CC1(C[N+](=CC2=C1C=CC(=C2)[N+](=O)[O-])C)C.[I-]

InChI

InChI=1S/C12H15N2O2.HI/c1-12(2)8-13(3)7-9-6-10(14(15)16)4-5-11(9)12;/h4-7H,8H2,1-3H3;1H/q+1;/p-1