3-chloranyl-5-(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride

Systemtic Name: 3-chloranyl-5-(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride Openeye Name: 3-chloro-5-(4-methyl-1-oxido-piperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride CAS Name: 3-chloro-5-(4-methyl-1-oxido-1-piperazin-1-iumyl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride IUPAC Name: 3-chloro-5-(4-methyl-1-oxidopiperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride Traditional Name: 3-chloro-5-(4-methyl-1-oxido-piperazin-1-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-1-ol dihydrochloride Formula: C19H23Cl3N2O2S MolecularWeight: 449.82212

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C2CC3=CC=CC=C3SC4=C(C=C(C=C24)Cl)O)[O-].Cl.Cl

Isomeric SMILES

CN1CC[N+](CC1)(C2CC3=CC=CC=C3SC4=C(C=C(C=C24)Cl)O)[O-].Cl.Cl

InChI

InChI=1S/C19H21ClN2O2S.2ClH/c1-21-6-8-22(24,9-7-21)16-10-13-4-2-3-5-18(13)25-19-15(16)11-14(20)12-17(19)23;;/h2-5,11-12,16,23H,6-10H2,1H3;2*1H