(1R,6R)-6-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-(4-methylpiperazin-4-ium-1-yl)carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-(4-methylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-(4-methylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(4-methylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h2-3,10-11H,4-9H2,1H3,(H,17,18)/t10-,11-/m1/s1