1-(diphenylmethyl)-4-[4-(4-fluoranylphenoxy)butyl]piperazin-1-ium chloride

Systemtic Name: 1-(diphenylmethyl)-4-[4-(4-fluoranylphenoxy)butyl]piperazin-1-ium chloride Openeye Name: 1-benzhydryl-4-[4-(4-fluorophenoxy)butyl]piperazin-1-ium chloride CAS Name: 1-(diphenylmethyl)-4-[4-(4-fluorophenoxy)butyl]piperazin-1-ium chloride IUPAC Name: 1-benzhydryl-4-[4-(4-fluorophenoxy)butyl]piperazin-1-ium chloride Traditional Name: 1-benzhydryl-4-[4-(4-fluorophenoxy)butyl]piperazin-1-ium chloride Formula: C27H32ClFN2O MolecularWeight: 455.007183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCOC4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCOC4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C27H31FN2O.ClH/c28-25-13-15-26(16-14-25)31-22-8-7-17-29-18-20-30(21-19-29)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24;/h1-6,9-16,27H,7-8,17-22H2;1H