1-bromanyl-2-methyl-5-nitro-isoquinolin-2-ium tetrafluoroborate

Systemtic Name: 1-bromanyl-2-methyl-5-nitro-isoquinolin-2-ium tetrafluoroborate Openeye Name: 1-bromo-2-methyl-5-nitro-isoquinolin-2-ium tetrafluoroborate CAS Name: 1-bromo-2-methyl-5-nitroisoquinolin-2-ium tetrafluoroborate IUPAC Name: 1-bromo-2-methyl-5-nitroisoquinolin-2-ium tetrafluoroborate Traditional Name: 1-bromo-2-methyl-5-nitro-isoquinolin-2-ium tetrafluoroborate Formula: C10H8BBrF4N2O2 MolecularWeight: 354.891333

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C(C2=C(C=C1)C(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C(C2=C(C=C1)C(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C10H8BrN2O2.BF4/c1-12-6-5-7-8(10(12)11)3-2-4-9(7)13(14)15;2-1(3,4)5/h2-6H,1H3;/q+1;-1