1-butyl-5-nitro-isoquinoline hydroiodide

Systemtic Name: 1-butyl-5-nitro-isoquinoline hydroiodide Openeye Name: 1-butyl-5-nitro-isoquinoline hydroiodide CAS Name: 1-butyl-5-nitroisoquinoline hydroiodide IUPAC Name: 1-butyl-5-nitroisoquinoline hydroiodide Traditional Name: 1-butyl-5-nitro-isoquinoline hydroiodide Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CC2=C1C=CC=C2[N+](=O)[O-].I

Isomeric SMILES

CCCCC1=NC=CC2=C1C=CC=C2[N+](=O)[O-].I

InChI

InChI=1S/C13H14N2O2.HI/c1-2-3-6-12-10-5-4-7-13(15(16)17)11(10)8-9-14-12;/h4-5,7-9H,2-3,6H2,1H3;1H