1-(4-phenylbutyl)pyrrolidine-3-sulfinate

Systemtic Name: 1-(4-phenylbutyl)pyrrolidine-3-sulfinate Openeye Name: 1-(4-phenylbutyl)pyrrolidine-3-sulfinate CAS Name: 1-(4-phenylbutyl)-3-pyrrolidinesulfinate IUPAC Name: 1-(4-phenylbutyl)pyrrolidine-3-sulfinate Traditional Name: 1-(4-phenylbutyl)pyrrolidine-3-sulfinate Formula: C14H20NO2S- MolecularWeight: 266.3791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S(=O)[O-])CCCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC1S(=O)[O-])CCCCC2=CC=CC=C2

InChI

InChI=1S/C14H21NO2S/c16-18(17)14-9-11-15(12-14)10-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/p-1