(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(4-methylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H22N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)/t10-,11-/m1/s1