(1S,2R)-2-(2-piperazin-4-ium-1-ylethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(2-piperazin-4-ium-1-ylethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(2-piperazin-4-ium-1-ylethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[2-(1-piperazin-4-iumyl)ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(2-piperazin-4-ium-1-ylethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(2-piperazin-4-ium-1-ylethylcarbamoyl)cyclohexanecarboxylate Formula: C14H25N3O3 MolecularWeight: 283.3666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCN2CC[NH2+]CC2)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCN2CC[NH2+]CC2)C(=O)[O-]

InChI

InChI=1S/C14H25N3O3/c18-13(11-3-1-2-4-12(11)14(19)20)16-7-10-17-8-5-15-6-9-17/h11-12,15H,1-10H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1