zinc 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one bromide chloride

Systemtic Name: zinc 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one bromide chloride Openeye Name: zinc 1,5-dimethyl-2-phenyl-4-(1-piperidylmethyl)pyrazol-3-one bromide chloride CAS Name: zinc 1,5-dimethyl-2-phenyl-4-(1-piperidinylmethyl)-3-pyrazolone bromide chloride IUPAC Name: zinc 1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one bromide chloride Traditional Name: zinc 1,5-dimethyl-2-phenyl-4-(piperidinomethyl)-3-pyrazolin-3-one bromide chloride Formula: C17H23BrClN3OZn MolecularWeight: 466.15002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCCC3.[Cl-].[Zn+2].[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCCC3.[Cl-].[Zn+2].[Br-]

InChI

InChI=1S/C17H23N3O.BrH.ClH.Zn/c1-14-16(13-19-11-7-4-8-12-19)17(21)20(18(14)2)15-9-5-3-6-10-15;;;/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3;2*1H;/q;;;+2/p-2