4-[(1-methylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide

Systemtic Name: 4-[(1-methylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Openeye Name: 4-[(1-methylsulfanyl-2-naphthyl)methyl]-5-(4-piperidyl)isoxazol-3-one hydrobromide CAS Name: 4-[[1-(methylthio)-2-naphthalenyl]methyl]-5-(4-piperidinyl)-3-isoxazolone hydrobromide IUPAC Name: 4-[(1-methylsulfanylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Traditional Name: 4-[[1-(methylthio)-2-naphthyl]methyl]-5-(4-piperidyl)-4-isoxazolin-3-one hydrobromide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC2=CC=CC=C21)CC3=C(ONC3=O)C4CCNCC4.Br

Isomeric SMILES

CSC1=C(C=CC2=CC=CC=C21)CC3=C(ONC3=O)C4CCNCC4.Br

InChI

InChI=1S/C20H22N2O2S.BrH/c1-25-19-15(7-6-13-4-2-3-5-16(13)19)12-17-18(24-22-20(17)23)14-8-10-21-11-9-14;/h2-7,14,21H,8-12H2,1H3,(H,22,23);1H