methyl 2-[4-(2,3-dihydro-1H-pyrazin-4-ylcarbonyl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[4-(2,3-dihydro-1H-pyrazin-4-ylcarbonyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[4-(2,3-dihydro-1H-pyrazine-4-carbonyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-[2,3-dihydro-1H-pyrazin-4-yl(oxo)methyl]-1-pyridin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[4-(2,3-dihydro-1H-pyrazine-4-carbonyl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-(2,3-dihydro-1H-pyrazine-4-carbonyl)pyridin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=C(C=C1)C(=O)N2CCNC=C2.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=C(C=C1)C(=O)N2CCNC=C2.[Br-]

InChI

InChI=1S/C13H15N3O3.BrH/c1-19-12(17)10-15-6-2-11(3-7-15)13(18)16-8-4-14-5-9-16;/h2-4,6-8H,5,9-10H2,1H3;1H