1-[(3-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: 1-[(3-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate Openeye Name: 1-[(3-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylate CAS Name: 1-[(3-methyl-4-oxido-2-pyrazin-4-iumyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: 1-[(3-methyl-4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 1-[(3-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylate Formula: C13H17N2O3- MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN=C1CC2(CCCCC2)C(=O)[O-])[O-]

Isomeric SMILES

CC1=[N+](C=CN=C1CC2(CCCCC2)C(=O)[O-])[O-]

InChI

InChI=1S/C13H18N2O3/c1-10-11(14-7-8-15(10)18)9-13(12(16)17)5-3-2-4-6-13/h7-8H,2-6,9H2,1H3,(H,16,17)/p-1