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

Systemtic Name: trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium bromide ethanoate Openeye Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium acetate bromide CAS Name: (3-hydroxy-2-pyridinyl)methyl-trimethylammonium acetate bromide IUPAC Name: (3-hydroxypyridin-2-yl)methyl-trimethylazanium acetate bromide Traditional Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium acetate bromide Formula: C11H18BrN2O3- MolecularWeight: 306.17622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O.C2H4O2.BrH/c1-11(2,3)7-8-9(12)5-4-6-10-8;1-2(3)4;/h4-6H,7H2,1-3H3;1H3,(H,3,4);1H/p-1