1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Formula: C20H24FN2O2+ MolecularWeight: 343.415163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)F)COCO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23FN2O2/c21-19-10-17(20-18(11-19)14-24-15-25-20)13-23-8-6-22(7-9-23)12-16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2/p+1