1-[(5-bromanyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: 1-[(5-bromanyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate Openeye Name: 1-[(5-bromo-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylate CAS Name: 1-[(5-bromo-4-oxido-2-pyrazin-4-iumyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: 1-[(5-bromo-4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 1-[(5-bromo-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylate Formula: C12H14BrN2O3- MolecularWeight: 314.15516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC=C([N+](=C2)[O-])Br)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC2=NC=C([N+](=C2)[O-])Br)C(=O)[O-]

InChI

InChI=1S/C12H15BrN2O3/c13-10-7-14-9(8-15(10)18)6-12(11(16)17)4-2-1-3-5-12/h7-8H,1-6H2,(H,16,17)/p-1