[3-[1-(dimethylamino)-2-methyl-3-oxidanyl-pentan-3-yl]phenyl] hydrogen sulfate

Systemtic Name: [3-[1-(dimethylamino)-2-methyl-3-oxidanyl-pentan-3-yl]phenyl] hydrogen sulfate Openeye Name: [3-[3-(dimethylamino)-1-ethyl-1-hydroxy-2-methyl-propyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] ester IUPAC Name: [3-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[3-(dimethylamino)-1-ethyl-1-hydroxy-2-methyl-propyl]phenyl] ester Formula: C14H23NO5S MolecularWeight: 317.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)OS(=O)(=O)O)(C(C)CN(C)C)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)OS(=O)(=O)O)(C(C)CN(C)C)O

InChI

InChI=1S/C14H23NO5S/c1-5-14(16,11(2)10-15(3)4)12-7-6-8-13(9-12)20-21(17,18)19/h6-9,11,16H,5,10H2,1-4H3,(H,17,18,19)