1-[(6-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(6-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylic acid CAS Name: 1-[(6-methyl-4-oxido-2-pyrazin-4-iumyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(6-methyl-4-oxidopyrazin-4-ium-2-yl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]cyclohexanecarboxylic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=N1)CC2(CCCCC2)C(=O)O)[O-]

Isomeric SMILES

CC1=C[N+](=CC(=N1)CC2(CCCCC2)C(=O)O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-10-8-15(18)9-11(14-10)7-13(12(16)17)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,16,17)