[2,4-bis[bis(fluoranyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2,4-bis[bis(fluoranyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2,4-bis(difluoromethoxy)phenyl]methanone CAS Name: [2,4-bis(difluoromethoxy)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2,4-bis(difluoromethoxy)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2,4-bis(difluoromethoxy)phenyl]methanone Formula: C20H21F4N2O3+ MolecularWeight: 413.385953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F4N2O3/c21-19(22)28-15-6-7-16(17(12-15)29-20(23)24)18(27)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12,19-20H,8-11,13H2/p+1