(2S,3S)-2-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2S,3S)-2-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2S,3S)-2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2S,3S)-2-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2S,3S)-2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2S,3S)-2-(4-cyclohexylpiperazin-4-ium-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C20H32N2O3 MolecularWeight: 348.47968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3C4CCC(C3C(=O)[O-])CC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)[C@@H]3[C@H](C4CCC3CC4)C(=O)[O-]

InChI

InChI=1S/C20H32N2O3/c23-19(17-14-6-8-15(9-7-14)18(17)20(24)25)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h14-18H,1-13H2,(H,24,25)/t14?,15?,17-,18-/m0/s1