N,N-dimethylcarbamate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol; hydrobromide

Systemtic Name: N,N-dimethylcarbamate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol; hydrobromide Openeye Name: N,N-dimethylcarbamate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol; hydrobromide CAS Name: N,N-dimethylcarbamate; 1-[(4-nitrophenyl)methyl]-3-pyridin-1-iumol; hydrobromide IUPAC Name: N,N-dimethylcarbamate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium-3-ol; hydrobromide Traditional Name: N,N-dimethylcarbamate; 1-(4-nitrobenzyl)pyridin-1-ium-3-ol; hydrobromide Formula: C15H18BrN3O5 MolecularWeight: 400.22452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[O-].C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])O.Br

Isomeric SMILES

CN(C)C(=O)[O-].C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)[N+](=O)[O-])O.Br

InChI

InChI=1S/C12H10N2O3.C3H7NO2.BrH/c15-12-2-1-7-13(9-12)8-10-3-5-11(6-4-10)14(16)17;1-4(2)3(5)6;/h1-7,9H,8H2;1-2H3,(H,5,6);1H