N,N-diethylcarbamate; 1-methylpyridin-1-ium-3-ol; bromide

Systemtic Name: N,N-diethylcarbamate; 1-methylpyridin-1-ium-3-ol; bromide Openeye Name: N,N-diethylcarbamate; 1-methylpyridin-1-ium-3-ol; bromide CAS Name: N,N-diethylcarbamate; 1-methyl-3-pyridin-1-iumol; bromide IUPAC Name: N,N-diethylcarbamate; 1-methylpyridin-1-ium-3-ol; bromide Traditional Name: N,N-diethylcarbamate; 1-methylpyridin-1-ium-3-ol; bromide Formula: C11H18BrN2O3- MolecularWeight: 306.17622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7NO.C5H11NO2.BrH/c1-7-4-2-3-6(8)5-7;1-3-6(4-2)5(7)8;/h2-5H,1H3;3-4H2,1-2H3,(H,7,8);1H/p-1