(1-methylpyridin-1-ium-3-yl)methanol bromide ethanoate

Systemtic Name: (1-methylpyridin-1-ium-3-yl)methanol bromide ethanoate Openeye Name: (1-methylpyridin-1-ium-3-yl)methanol acetate bromide CAS Name: (1-methyl-3-pyridin-1-iumyl)methanol acetate bromide IUPAC Name: (1-methylpyridin-1-ium-3-yl)methanol acetate bromide Traditional Name: (1-methylpyridin-1-ium-3-yl)methanol acetate bromide Formula: C9H13BrNO3- MolecularWeight: 263.10842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10NO.C2H4O2.BrH/c1-8-4-2-3-7(5-8)6-9;1-2(3)4;/h2-5,9H,6H2,1H3;1H3,(H,3,4);1H/q+1;;/p-2