1-[(2-nitrophenyl)methoxy-phenyl-methyl]pyridin-1-ium bromide

Systemtic Name: 1-[(2-nitrophenyl)methoxy-phenyl-methyl]pyridin-1-ium bromide Openeye Name: 1-[(2-nitrophenyl)methoxy-phenyl-methyl]pyridin-1-ium bromide CAS Name: 1-[(2-nitrophenyl)methoxy-phenylmethyl]pyridin-1-ium bromide IUPAC Name: 1-[(2-nitrophenyl)methoxy-phenylmethyl]pyridin-1-ium bromide Traditional Name: 1-[(2-nitrobenzyl)oxy-phenyl-methyl]pyridin-1-ium bromide Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C([N+]2=CC=CC=C2)OCC3=CC=CC=C3[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C([N+]2=CC=CC=C2)OCC3=CC=CC=C3[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H17N2O3.BrH/c22-21(23)18-12-6-5-11-17(18)15-24-19(16-9-3-1-4-10-16)20-13-7-2-8-14-20;/h1-14,19H,15H2;1H/q+1;/p-1