2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylthio)ethyl-dimethylammonium chloride IUPAC Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethylazanium chloride Traditional Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylthio)ethyl-dimethyl-ammonium chloride Formula: C18H22ClNS2 MolecularWeight: 351.95698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-]

Isomeric SMILES

C[NH+](C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-]

InChI

InChI=1S/C18H21NS2.ClH/c1-19(2)11-12-20-18-15-8-4-3-7-14(15)13-21-17-10-6-5-9-16(17)18;/h3-10,18H,11-13H2,1-2H3;1H