2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate

Systemtic Name: 2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate Openeye Name: 2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate CAS Name: 2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate IUPAC Name: 2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate Traditional Name: 2-methyl-5-nitro-1,4-dihydroisoquinolin-2-ium tetrafluoroborate Formula: C10H11BF4N2O2 MolecularWeight: 278.011153

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CCC2=C(C1)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CCC2=C(C1)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C10H11N2O2.BF4/c1-11-6-5-9-8(7-11)3-2-4-10(9)12(13)14;2-1(3,4)5/h2-4,6H,5,7H2,1H3;/q+1;-1