N-[2,4-bis(fluoranyl)phenyl]-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C19H22F2N3O+ MolecularWeight: 346.394286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O/c20-16-6-7-18(17(21)14-16)22-19(25)24-12-10-23(11-13-24)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,22,25)/p+1