(1S,6R)-6-piperazin-4-ium-1-ylcarbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-piperazin-4-ium-1-ylcarbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo(1-piperazin-4-iumyl)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C12H18N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h1-2,9-10,13H,3-8H2,(H,16,17)/t9-,10+/m1/s1