5-nitro-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 5-nitro-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-5-nitro-isoquinolin-2-ium bromide CAS Name: 5-nitro-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-5-nitroisoquinolin-2-ium bromide Traditional Name: 2-benzyl-5-nitro-isoquinolin-2-ium bromide Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H13N2O2.BrH/c19-18(20)16-8-4-7-14-12-17(10-9-15(14)16)11-13-5-2-1-3-6-13;/h1-10,12H,11H2;1H/q+1;/p-1