4-(2,2-diphenylethyl)-5-piperidin-4-yl-1,2-thiazol-3-one hydrobromide

Systemtic Name: 4-(2,2-diphenylethyl)-5-piperidin-4-yl-1,2-thiazol-3-one hydrobromide Openeye Name: 4-(2,2-diphenylethyl)-5-(4-piperidyl)isothiazol-3-one hydrobromide CAS Name: 4-(2,2-diphenylethyl)-5-(4-piperidinyl)-3-isothiazolone hydrobromide IUPAC Name: 4-(2,2-diphenylethyl)-5-piperidin-4-yl-1,2-thiazol-3-one hydrobromide Traditional Name: 4-(2,2-diphenylethyl)-5-(4-piperidyl)-4-isothiazolin-3-one hydrobromide Formula: C22H25BrN2OS MolecularWeight: 445.4157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NS2)CC(C3=CC=CC=C3)C4=CC=CC=C4.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NS2)CC(C3=CC=CC=C3)C4=CC=CC=C4.Br

InChI

InChI=1S/C22H24N2OS.BrH/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19,23H,11-15H2,(H,24,25);1H