1-(2-fluoranylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-fluoranylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium Openeye Name: 1-(2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium CAS Name: 1-(2-fluoro-5-benzo[b][1]benzothiepinyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazin-4-ium Traditional Name: 1-(2-fluorobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium Formula: C19H20FN2S+ MolecularWeight: 327.438903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC(=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC(=C4)F

InChI

InChI=1S/C19H19FN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-13-15(20)6-7-16(17)19/h2-7,12-13H,8-11H2,1H3/p+1