2-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]ethyl-diethyl-ammonium Formula: C20H25ClNS2+ MolecularWeight: 379.0022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CC[NH+](CC)CCS[C@@H]1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C20H24ClNS2/c1-3-22(4-2)11-12-23-20-14-15-13-16(21)9-10-18(15)24-19-8-6-5-7-17(19)20/h5-10,13,20H,3-4,11-12,14H2,1-2H3/p+1/t20-/m1/s1