N,N-diethylcarbamate; 1-(phenylmethyl)pyridin-1-ium-3-ol; hydrobromide

Systemtic Name: N,N-diethylcarbamate; 1-(phenylmethyl)pyridin-1-ium-3-ol; hydrobromide Openeye Name: 1-benzylpyridin-1-ium-3-ol; N,N-diethylcarbamate; hydrobromide CAS Name: N,N-diethylcarbamate; 1-(phenylmethyl)-3-pyridin-1-iumol; hydrobromide IUPAC Name: 1-benzylpyridin-1-ium-3-ol; N,N-diethylcarbamate; hydrobromide Traditional Name: 1-benzylpyridin-1-ium-3-ol; N,N-diethylcarbamate; hydrobromide Formula: C17H23BrN2O3 MolecularWeight: 383.28012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO.C5H11NO2.BrH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-3-6(4-2)5(7)8;/h1-8,10H,9H2;3-4H2,1-2H3,(H,7,8);1H