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

Systemtic Name: 2-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]ethyl-dimethyl-ammonium Formula: C18H21ClNS2+ MolecularWeight: 350.94904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNS2/c1-20(2)9-10-21-18-12-13-11-14(19)7-8-16(13)22-17-6-4-3-5-15(17)18/h3-8,11,18H,9-10,12H2,1-2H3/p+1/t18-/m1/s1