[3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] hydrogen sulfate

Systemtic Name: [3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] hydrogen sulfate Openeye Name: [3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] ester IUPAC Name: [3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenyl] ester Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1C2=CC(=CC=C2)OS(=O)(=O)O

Isomeric SMILES

CN(C)C[C@@H]1CCCC[C@H]1C2=CC(=CC=C2)OS(=O)(=O)O

InChI

InChI=1S/C15H23NO4S/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(10-12)20-21(17,18)19/h5,7-8,10,13,15H,3-4,6,9,11H2,1-2H3,(H,17,18,19)/t13-,15-/m0/s1