1-(diphenylmethyl)-4-[[4-(3-fluoranylpropoxy)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(diphenylmethyl)-4-[[4-(3-fluoranylpropoxy)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-benzhydryl-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-(diphenylmethyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-benzhydryl-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-benzhydryl-4-[4-(3-fluoropropoxy)benzyl]piperazine-1,4-diium Formula: C27H33FN2O+2 MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)OCCCF)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)OCCCF)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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