hydrogen sulfate; trimethyl-[1-(2-oxidanyl-3-phenyl-phenyl)ethyl]azanium

Systemtic Name: hydrogen sulfate; trimethyl-[1-(2-oxidanyl-3-phenyl-phenyl)ethyl]azanium Openeye Name: hydrogen sulfate; 1-(2-hydroxy-3-phenyl-phenyl)ethyl-trimethyl-ammonium CAS Name: hydrogen sulfate; 1-(2-hydroxy-3-phenylphenyl)ethyl-trimethylammonium IUPAC Name: hydrogen sulfate; 1-(2-hydroxy-3-phenylphenyl)ethyl-trimethylazanium Traditional Name: 1-(2-hydroxy-3-phenyl-phenyl)ethyl-trimethyl-ammonium bisulfate Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1O)C2=CC=CC=C2)[N+](C)(C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC(=C1O)C2=CC=CC=C2)[N+](C)(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H21NO.H2O4S/c1-13(18(2,3)4)15-11-8-12-16(17(15)19)14-9-6-5-7-10-14;1-5(2,3)4/h5-13H,1-4H3;(H2,1,2,3,4)