trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium benzoate bromide

Systemtic Name: trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium benzoate bromide Openeye Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium benzoate bromide CAS Name: (3-hydroxy-2-pyridinyl)methyl-trimethylammonium benzoate bromide IUPAC Name: (3-hydroxypyridin-2-yl)methyl-trimethylazanium benzoate bromide Traditional Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium benzoate bromide Formula: C16H20BrN2O3- MolecularWeight: 368.2456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC=N1)O.C1=CC=C(C=C1)C(=O)[O-].[Br-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC=N1)O.C1=CC=C(C=C1)C(=O)[O-].[Br-]

InChI

InChI=1S/C9H14N2O.C7H6O2.BrH/c1-11(2,3)7-8-9(12)5-4-6-10-8;8-7(9)6-4-2-1-3-5-6;/h4-6H,7H2,1-3H3;1-5H,(H,8,9);1H/p-1