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

Systemtic Name: [(1S,2R)-2-[4-(phenylmethyl)piperazin-1-yl]cyclohexyl]methyl methanesulfonate Openeye Name: [(1S,2R)-2-(4-benzylpiperazin-1-yl)cyclohexyl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1S,2R)-2-[4-(phenylmethyl)-1-piperazinyl]cyclohexyl]methyl ester IUPAC Name: [(1S,2R)-2-(4-benzylpiperazin-1-yl)cyclohexyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1S,2R)-2-(4-benzylpiperazino)cyclohexyl]methyl ester Formula: C19H30N2O3S MolecularWeight: 366.5181

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CCCCC1N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3S/c1-25(22,23)24-16-18-9-5-6-10-19(18)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3/t18-,19-/m1/s1