7-nitro-2-propyl-isoquinolin-2-ium iodide

Systemtic Name: 7-nitro-2-propyl-isoquinolin-2-ium iodide Openeye Name: 7-nitro-2-propyl-isoquinolin-2-ium iodide CAS Name: 7-nitro-2-propylisoquinolin-2-ium iodide IUPAC Name: 7-nitro-2-propylisoquinolin-2-ium iodide Traditional Name: 7-nitro-2-propyl-isoquinolin-2-ium iodide Formula: C12H13IN2O2 MolecularWeight: 344.14829

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1.[I-]

Isomeric SMILES

CCC[N+]1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1.[I-]

InChI

InChI=1S/C12H13N2O2.HI/c1-2-6-13-7-5-10-3-4-12(14(15)16)8-11(10)9-13;/h3-5,7-9H,2,6H2,1H3;1H/q+1;/p-1