1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol bromide

Systemtic Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol bromide Openeye Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol bromide CAS Name: 1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumol bromide IUPAC Name: 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol bromide Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium-3-ol bromide Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C12H10N2O3.BrH/c15-12-2-1-7-13(9-12)8-10-3-5-11(6-4-10)14(16)17;/h1-7,9H,8H2;1H