4-[(2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-3-yl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(2-methyl-2-oxidanidyl-1H-pyridazin-2-ium-3-yl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 4-[[(2-methyl-2-oxido-1H-pyridazin-2-ium-3-yl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(2-methyl-2-oxido-1H-pyridazin-2-ium-3-carbonyl)amino]cyclohexanecarboxylic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC=CN1)C(=O)NC2CCC(CC2)C(=O)O)[O-]

Isomeric SMILES

C[N+]1(C(=CC=CN1)C(=O)NC2CCC(CC2)C(=O)O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-16(20)11(3-2-8-14-16)12(17)15-10-6-4-9(5-7-10)13(18)19/h2-3,8-10,14H,4-7H2,1H3,(H,15,17)(H,18,19)