1-[(4-oxidanidylpyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-oxidanidylpyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylic acid CAS Name: 1-[(4-oxido-2-pyrazin-4-iumyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylic acid Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c15-11(16)12(4-2-1-3-5-12)8-10-9-14(17)7-6-13-10/h6-7,9H,1-5,8H2,(H,15,16)