2-chloranyl-1-methyl-pyridin-1-ium-3-ol; N,N-dimethylcarbamate; bromide

Systemtic Name: 2-chloranyl-1-methyl-pyridin-1-ium-3-ol; N,N-dimethylcarbamate; bromide Openeye Name: 2-chloro-1-methyl-pyridin-1-ium-3-ol; N,N-dimethylcarbamate; bromide CAS Name: 2-chloro-1-methyl-3-pyridin-1-iumol; N,N-dimethylcarbamate; bromide IUPAC Name: 2-chloro-1-methylpyridin-1-ium-3-ol; N,N-dimethylcarbamate; bromide Traditional Name: 2-chloro-1-methyl-pyridin-1-ium-3-ol; N,N-dimethylcarbamate; bromide Formula: C9H13BrClN2O3- MolecularWeight: 312.56812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1Cl)O.CN(C)C(=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1Cl)O.CN(C)C(=O)[O-].[Br-]

InChI

InChI=1S/C6H6ClNO.C3H7NO2.BrH/c1-8-4-2-3-5(9)6(8)7;1-4(2)3(5)6;/h2-4H,1H3;1-2H3,(H,5,6);1H/p-1