1-methylpyridin-1-ium-3-ol benzoate bromide

Systemtic Name: 1-methylpyridin-1-ium-3-ol benzoate bromide Openeye Name: 1-methylpyridin-1-ium-3-ol benzoate bromide CAS Name: 1-methyl-3-pyridin-1-iumol benzoate bromide IUPAC Name: 1-methylpyridin-1-ium-3-ol benzoate bromide Traditional Name: 1-methylpyridin-1-ium-3-ol benzoate bromide Formula: C13H13BrNO3- MolecularWeight: 311.15122

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)O.C1=CC=C(C=C1)C(=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)O.C1=CC=C(C=C1)C(=O)[O-].[Br-]

InChI

InChI=1S/C7H6O2.C6H7NO.BrH/c8-7(9)6-4-2-1-3-5-6;1-7-4-2-3-6(8)5-7;/h1-5H,(H,8,9);2-5H,1H3;1H/p-1