1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-one hydrobromide

Systemtic Name: 1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-one hydrobromide Openeye Name: 1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-one hydrobromide CAS Name: 1-(1-imidazolyl)-4-(4-methoxyphenyl)-2-butanone hydrobromide IUPAC Name: 1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-one hydrobromide Traditional Name: 1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-one hydrobromide Formula: C14H17BrN2O2 MolecularWeight: 325.20098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)CN2C=CN=C2.Br

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)CN2C=CN=C2.Br

InChI

InChI=1S/C14H16N2O2.BrH/c1-18-14-6-3-12(4-7-14)2-5-13(17)10-16-9-8-15-11-16;/h3-4,6-9,11H,2,5,10H2,1H3;1H