[(1R,2R)-2-[4-(phenylmethyl)piperazin-1-yl]cyclohexyl] methanesulfonate

Systemtic Name: [(1R,2R)-2-[4-(phenylmethyl)piperazin-1-yl]cyclohexyl] methanesulfonate Openeye Name: [(1R,2R)-2-(4-benzylpiperazin-1-yl)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,2R)-2-[4-(phenylmethyl)-1-piperazinyl]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(4-benzylpiperazin-1-yl)cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2R)-2-(4-benzylpiperazino)cyclohexyl] ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCCCC1N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O[C@@H]1CCCC[C@H]1N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O3S/c1-24(21,22)23-18-10-6-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-,18-/m1/s1