[4-[2-(methylamino)ethyl]-2-oxidanyl-phenyl] hydrogen sulfate

Systemtic Name: [4-[2-(methylamino)ethyl]-2-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [2-hydroxy-4-[2-(methylamino)ethyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-hydroxy-4-[2-(methylamino)ethyl]phenyl] ester IUPAC Name: [2-hydroxy-4-[2-(methylamino)ethyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-hydroxy-4-[2-(methylamino)ethyl]phenyl] ester Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC(=C(C=C1)OS(=O)(=O)O)O

Isomeric SMILES

CNCCC1=CC(=C(C=C1)OS(=O)(=O)O)O

InChI

InChI=1S/C9H13NO5S/c1-10-5-4-7-2-3-9(8(11)6-7)15-16(12,13)14/h2-3,6,10-11H,4-5H2,1H3,(H,12,13,14)