1-[2-[[(11R)-2-chloranyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[2-[[(11R)-2-chloranyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Openeye Name: 1-[2-[[(11R)-2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol CAS Name: 1-[2-[[(11R)-2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidin-1-iumol IUPAC Name: 1-[2-[[(11R)-2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Traditional Name: 1-[2-[[(11R)-2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]oxy]ethyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-ol Formula: C28H27Cl2F3NO2S+ MolecularWeight: 569.48569

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCOC3C4=CC=CC=C4CSC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCO[C@@H]3C4=CC=CC=C4CSC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C28H26Cl2F3NO2S/c29-20-6-8-25-22(16-20)26(21-4-2-1-3-18(21)17-37-25)36-14-13-34-11-9-27(35,10-12-34)19-5-7-24(30)23(15-19)28(31,32)33/h1-8,15-16,26,35H,9-14,17H2/p+1/t26-/m1/s1