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

Systemtic Name: 3-[[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]propyl-dimethyl-azanium Openeye Name: 3-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]propyl-dimethyl-ammonium CAS Name: 3-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]propyl-dimethylammonium IUPAC Name: 3-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]sulfanyl]propyl-dimethylazanium Traditional Name: 3-[[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]thio]propyl-dimethyl-ammonium Formula: C19H23ClNS2+ MolecularWeight: 364.97562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNS2/c1-21(2)10-5-11-22-19-13-14-12-15(20)8-9-17(14)23-18-7-4-3-6-16(18)19/h3-4,6-9,12,19H,5,10-11,13H2,1-2H3/p+1/t19-/m1/s1