4-[[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]methyl]cyclohexanecarboxylate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NCC2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NCC2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H22N2O3/c16-12(11-2-1-7-14-11)15-8-9-3-5-10(6-4-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)/t9?,10?,11-/m0/s1