2-[(4-nitrophenyl)methyl]isoquinolin-2-ium bromide

Systemtic Name: 2-[(4-nitrophenyl)methyl]isoquinolin-2-ium bromide Openeye Name: 2-[(4-nitrophenyl)methyl]isoquinolin-2-ium bromide CAS Name: 2-[(4-nitrophenyl)methyl]isoquinolin-2-ium bromide IUPAC Name: 2-[(4-nitrophenyl)methyl]isoquinolin-2-ium bromide Traditional Name: 2-(4-nitrobenzyl)isoquinolin-2-ium bromide Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

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