1-[2,3-bis(fluoranyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2,3-bis(fluoranyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium CAS Name: 1-(2,3-difluoro-5-benzo[b][1]benzothiepinyl)-4-methylpiperazin-4-ium IUPAC Name: 1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazin-4-ium Traditional Name: 1-(2,3-difluorobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazin-4-ium Formula: C19H19F2N2S+ MolecularWeight: 345.429366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F

InChI

InChI=1S/C19H18F2N2S/c1-22-6-8-23(9-7-22)17-10-13-4-2-3-5-18(13)24-19-12-16(21)15(20)11-14(17)19/h2-5,10-12H,6-9H2,1H3/p+1