1-[(5S)-3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(5S)-3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(5S)-3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[(5S)-3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(5S)-3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazin-4-ium Traditional Name: 1-[(5S)-3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazin-4-ium Formula: C19H21ClFN2S+ MolecularWeight: 363.899843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC3=C(C=CC(=C3)F)SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H]2CC3=C(C=CC(=C3)F)SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C19H20ClFN2S/c1-22-6-8-23(9-7-22)17-11-13-10-15(21)3-5-18(13)24-19-4-2-14(20)12-16(17)19/h2-5,10,12,17H,6-9,11H2,1H3/p+1/t17-/m0/s1