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

Systemtic Name: N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C18H20ClFN3O+ MolecularWeight: 348.822303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClFN3O/c19-15-2-1-3-17(12-15)21-18(24)23-10-8-22(9-11-23)13-14-4-6-16(20)7-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1