[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-fluorophenyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Formula: C18H19ClFN2O+ MolecularWeight: 333.807663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H18ClFN2O/c19-17-7-2-1-4-15(17)13-21-8-10-22(11-9-21)18(23)14-5-3-6-16(20)12-14/h1-7,12H,8-11,13H2/p+1