N,N-dimethylcarbamate; 1-phenethylpyridin-1-ium-3-ol; hydrobromide

Systemtic Name: N,N-dimethylcarbamate; 1-phenethylpyridin-1-ium-3-ol; hydrobromide Openeye Name: N,N-dimethylcarbamate; 1-phenethylpyridin-1-ium-3-ol; hydrobromide CAS Name: N,N-dimethylcarbamate; 1-phenethyl-3-pyridin-1-iumol; hydrobromide IUPAC Name: N,N-dimethylcarbamate; 1-phenethylpyridin-1-ium-3-ol; hydrobromide Traditional Name: N,N-dimethylcarbamate; 1-phenethylpyridin-1-ium-3-ol; hydrobromide Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[O-].C1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)O.Br

Isomeric SMILES

CN(C)C(=O)[O-].C1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)O.Br

InChI

InChI=1S/C13H13NO.C3H7NO2.BrH/c15-13-7-4-9-14(11-13)10-8-12-5-2-1-3-6-12;1-4(2)3(5)6;/h1-7,9,11H,8,10H2;1-2H3,(H,5,6);1H