1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-(3-fluorobenzyl)piperazin-1-ium Formula: C18H21ClFN2+ MolecularWeight: 319.824143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20ClFN2/c19-17-5-1-3-15(11-17)13-21-7-9-22(10-8-21)14-16-4-2-6-18(20)12-16/h1-6,11-12H,7-10,13-14H2/p+1