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

Systemtic Name: 1-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)-4-(3-fluorobenzyl)piperazin-4-ium Formula: C17H19ClFN2+ MolecularWeight: 305.797563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2/c18-15-4-6-17(7-5-15)21-10-8-20(9-11-21)13-14-2-1-3-16(19)12-14/h1-7,12H,8-11,13H2/p+1