2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium bromide

Systemtic Name: 2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium bromide Openeye Name: 2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium bromide CAS Name: 2-[(5-nitro-2-furanyl)methyl]isoquinolin-2-ium bromide IUPAC Name: 2-[(5-nitrofuran-2-yl)methyl]isoquinolin-2-ium bromide Traditional Name: 2-[(5-nitro-2-furyl)methyl]isoquinolin-2-ium bromide Formula: C14H11BrN2O3 MolecularWeight: 335.15274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(O3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(O3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H11N2O3.BrH/c17-16(18)14-6-5-13(19-14)10-15-8-7-11-3-1-2-4-12(11)9-15;/h1-9H,10H2;1H/q+1;/p-1