ethyl 4-(5-bromanylpyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-bromanylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-bromopyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(5-bromo-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromopyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-bromopyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C12H17BrN3O2+ MolecularWeight: 315.18628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)Br

InChI

InChI=1S/C12H16BrN3O2/c1-2-18-12(17)16-7-5-15(6-8-16)11-4-3-10(13)9-14-11/h3-4,9H,2,5-8H2,1H3/p+1