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

Systemtic Name: [3-(1-azanyl-2-methyl-3-oxidanyl-pentan-3-yl)phenyl] hydrogen sulfate Openeye Name: [3-(3-amino-1-ethyl-1-hydroxy-2-methyl-propyl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-(1-amino-3-hydroxy-2-methylpentan-3-yl)phenyl] ester IUPAC Name: [3-(1-amino-3-hydroxy-2-methylpentan-3-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-(3-amino-1-ethyl-1-hydroxy-2-methyl-propyl)phenyl] ester Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO5S/c1-3-12(14,9(2)8-13)10-5-4-6-11(7-10)18-19(15,16)17/h4-7,9,14H,3,8,13H2,1-2H3,(H,15,16,17)