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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C17H19F2N4O+ MolecularWeight: 333.355766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C17H18F2N4O/c18-13-4-5-16(15(19)11-13)21-17(24)23-9-7-22(8-10-23)12-14-3-1-2-6-20-14/h1-6,11H,7-10,12H2,(H,21,24)/p+1