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

Systemtic Name: 4-[(1-chloranylnaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Openeye Name: 4-[(1-chloro-2-naphthyl)methyl]-5-(4-piperidyl)isoxazol-3-one hydrobromide CAS Name: 4-[(1-chloro-2-naphthalenyl)methyl]-5-(4-piperidinyl)-3-isoxazolone hydrobromide IUPAC Name: 4-[(1-chloronaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one hydrobromide Traditional Name: 4-[(1-chloro-2-naphthyl)methyl]-5-(4-piperidyl)-4-isoxazolin-3-one hydrobromide Formula: C19H20BrClN2O2 MolecularWeight: 423.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)Cl.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)Cl.Br

InChI

InChI=1S/C19H19ClN2O2.BrH/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13;/h1-6,13,21H,7-11H2,(H,22,23);1H