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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])C=[N+]1C)C.[I-]

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])C=[N+]1C)C.[I-]

InChI

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