2-[(phenylmethyl)amino]ethyl hydrogen sulfate

Systemtic Name: 2-[(phenylmethyl)amino]ethyl hydrogen sulfate Openeye Name: 2-(benzylamino)ethyl hydrogen sulfate CAS Name: sulfuric acid 2-[(phenylmethyl)amino]ethyl ester IUPAC Name: 2-(benzylamino)ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(benzylamino)ethyl ester Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCOS(=O)(=O)O

InChI

InChI=1S/C9H13NO4S/c11-15(12,13)14-7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)