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

Systemtic Name: [3-[2-methyl-1-(methylamino)-3-oxidanyl-pentan-3-yl]phenyl] hydrogen sulfate Openeye Name: [3-[1-ethyl-1-hydroxy-2-methyl-3-(methylamino)propyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[3-hydroxy-2-methyl-1-(methylamino)pentan-3-yl]phenyl] ester IUPAC Name: [3-[3-hydroxy-2-methyl-1-(methylamino)pentan-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[1-ethyl-1-hydroxy-2-methyl-3-(methylamino)propyl]phenyl] ester Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO5S/c1-4-13(15,10(2)9-14-3)11-6-5-7-12(8-11)19-20(16,17)18/h5-8,10,14-15H,4,9H2,1-3H3,(H,16,17,18)