(1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-(4-ethylpiperazin-4-ium-1-yl)carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(4-ethylpiperazin-4-ium-1-carbonyl)cyclohexanecarboxylate Formula: C14H24N2O3 MolecularWeight: 268.35196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O3/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14(18)19/h11-12H,2-10H2,1H3,(H,18,19)/t11-,12-/m0/s1