(2-benzo[e][1]benzothiol-4-yl-2-oxidanyl-ethyl)-dibutyl-azanium chloride

Systemtic Name: (2-benzo[e][1]benzothiol-4-yl-2-oxidanyl-ethyl)-dibutyl-azanium chloride Openeye Name: (2-benzo[e]benzothiophen-4-yl-2-hydroxy-ethyl)-dibutyl-ammonium chloride CAS Name: [2-(4-benzo[e][1]benzothiolyl)-2-hydroxyethyl]-dibutylammonium chloride IUPAC Name: (2-benzo[e][1]benzothiol-4-yl-2-hydroxyethyl)-dibutylazanium chloride Traditional Name: (2-benzo[e]benzothiophen-4-yl-2-hydroxy-ethyl)-dibutyl-ammonium chloride Formula: C22H30ClNOS MolecularWeight: 391.9977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(C1=CC2=CC=CC=C2C3=C1SC=C3)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CC(C1=CC2=CC=CC=C2C3=C1SC=C3)O.[Cl-]

InChI

InChI=1S/C22H29NOS.ClH/c1-3-5-12-23(13-6-4-2)16-21(24)20-15-17-9-7-8-10-18(17)19-11-14-25-22(19)20;/h7-11,14-15,21,24H,3-6,12-13,16H2,1-2H3;1H