(1S,2S,3S,4R)-2-piperazin-4-ium-1-ylcarbonylbicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: (1S,2S,3S,4R)-2-piperazin-4-ium-1-ylcarbonylbicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: (1S,2S,3S,4R)-2-(piperazin-4-ium-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: (1S,2S,3S,4R)-2-[oxo(1-piperazin-4-iumyl)methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate IUPAC Name: (1S,2S,3S,4R)-2-(piperazin-4-ium-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: (1S,2S,3S,4R)-2-(piperazin-4-ium-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2C3CC(C2C(=O)[O-])C=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3

InChI

InChI=1S/C13H18N2O3/c16-12(15-5-3-14-4-6-15)10-8-1-2-9(7-8)11(10)13(17)18/h1-2,8-11,14H,3-7H2,(H,17,18)/t8-,9+,10+,11+/m1/s1