(1S,2R)-2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)cyclohexanecarboxylate Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC[NH+]2CCOCC2)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC[NH+]2CCOCC2)C(=O)[O-]

InChI

InChI=1S/C15H26N2O4/c18-14(12-4-1-2-5-13(12)15(19)20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20)/t12-,13+/m1/s1